data_2oj2_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 2oj2 _Structure_validation_residue.Date_analyzed 2016-10-08 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 ' 26' ' ' ILE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 51' ' ' VAL . 5.1 mm -89.9 127.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.39 132.6 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 p -92.06 133.71 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.523 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -61.73 124.13 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 68.5 mt -80.38 -16.54 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 3.0 m-85 -159.13 148.08 18.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.79 138.67 52.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.6 t80 -139.91 128.4 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -121.83 60.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.478 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.3 tp -93.3 154.31 18.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 p -108.46 136.68 47.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.7 p90 -145.3 -171.33 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -129.3 159.09 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -66.25 103.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.94 -4.2 10.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.31 145.37 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 109.271 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -106.86 141.9 37.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.0 mtm -132.93 147.71 52.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 27' ' ' ILE . 56.0 t -94.15 93.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 4.7 t -60.94 119.77 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.24 -52.94 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.532 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 25.8 m95 -75.36 132.98 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.544 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 6.0 m0 -119.9 152.02 38.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 108.028 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -94.64 98.1 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -117.3 156.35 27.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -104.13 122.44 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 19.5 t -54.04 130.91 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 mt -89.3 22.52 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.99 -37.55 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -125.39 1.22 7.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 64' ' ' SER . 7.0 mtm-85 59.75 24.11 13.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 45.0 mttt -68.89 176.96 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -147.49 121.12 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.4 161.9 30.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 19.9 m-85 -68.56 140.85 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 0.818 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.91 152.08 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.487 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.05 135.27 18.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.417 1.746 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.544 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 3.6 t -78.65 -30.11 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.409 ' HB3' ' CD1' ' B' ' 125' ' ' LEU . 25.4 p-10 -69.8 -7.46 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.553 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.36 13.15 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.49 167.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . . . -154.27 112.22 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.427 ' CZ ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -39.47 137.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -33.06 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.52 12.53 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.451 -0.987 0 N-CA-C 111.043 -0.407 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' B' ' 124' ' ' PRO . 24.8 mt 59.02 154.3 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -74.96 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 114.02 3.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.49 131.13 63.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 4.1 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mm -85.51 129.34 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.89 133.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -92.39 134.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -62.7 125.87 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 42.3 mt -81.83 -17.61 46.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.7 m-85 -157.8 145.88 18.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -56.1 137.45 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 76.2 t80 -137.79 127.65 25.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -118.04 60.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.371 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.454 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.524 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.496 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 11.5 tp -88.87 150.62 22.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.7 p -106.95 146.79 30.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.0 p90 -153.94 -172.35 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 74.0 mt-30 -128.63 155.01 45.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -62.42 103.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.68 -2.56 12.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -83.75 143.65 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.369 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.05 142.36 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.9 mtm -132.21 152.44 51.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 71.5 t -97.94 94.3 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 8.8 t -61.26 116.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.91 -52.91 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.555 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 25.3 m95 -84.36 135.25 34.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 6.2 m0 -121.16 152.87 38.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -95.33 98.08 10.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -117.19 159.95 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.91 122.88 48.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -52.36 131.95 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.41 24.74 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.94 -42.0 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -112.45 -15.19 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.8 OUTLIER 72.26 24.59 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 23.1 mttt -74.4 -179.83 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 35.2 mt-10 -148.98 125.71 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.08 167.05 37.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.9 m-85 -73.48 134.98 44.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.496 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -128.32 152.24 77.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HG2' ' HB2' ' A' ' 77' ' ' TYR . 18.6 Cg_endo -74.94 131.18 14.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 5.7 t -75.15 -31.45 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.533 ' HB3' ' CD1' ' B' ' 125' ' ' LEU . 28.6 p-10 -69.88 -6.23 31.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -113.56 12.06 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.061 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.52 166.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.429 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . . . -152.29 113.71 4.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -39.66 140.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -34.56 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.04 10.98 14.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.958 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.938 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.533 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 20.4 mt 60.31 153.87 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.555 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 165.48 31.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.72 132.88 37.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.597 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.41 HG23 ' NE2' ' A' ' 49' ' ' GLN . 10.5 mm -84.49 128.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.0 m -134.16 129.5 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -90.25 134.79 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -64.03 124.65 22.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.431 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 34.8 mt -79.81 -23.81 41.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.6 m-85 -151.11 149.88 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.433 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 21.0 p-10 -56.77 142.19 41.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.1 t80 -144.42 126.83 15.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -119.78 58.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.0 tp -92.64 152.75 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.1 p -106.52 143.69 34.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.606 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 12.5 p90 -150.62 -171.56 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -128.72 155.79 44.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.433 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.3 tmtt? -64.0 101.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.84 -2.2 10.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 149.98 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.41 ' NE2' HG23 ' A' ' 27' ' ' ILE . 1.5 mm-40 -110.74 140.21 45.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.7 mtm -132.84 146.48 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.474 HG22 ' CD1' ' A' ' 65' ' ' LEU . 46.8 t -93.47 96.33 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.0 t -62.0 118.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 mt -100.66 -53.99 2.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.0 mm-40 . . . . . 0 C--N 1.323 -0.548 0 O-C-N 124.579 1.174 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.597 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 15.1 m95 -79.32 136.68 37.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 108.078 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.567 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.9 m0 -120.28 152.16 38.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 3.1 tttt -93.78 97.19 10.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -115.0 165.17 13.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 3.3 tmm_? -113.35 123.94 51.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.237 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 8.9 t -55.41 132.9 49.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.9 mp -89.57 22.48 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.19 -39.24 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.9 p -116.11 -10.92 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 64' ' ' SER . 36.4 mtt-85 67.58 19.99 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 15.7 mttm -70.43 179.99 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 23.0 mt-10 -147.99 124.82 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.16 168.55 40.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 22.4 m-85 -74.37 138.93 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.48 151.45 77.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 131.52 14.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 1.1 t -76.46 -25.94 54.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -74.31 -3.23 28.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -117.15 12.87 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 11.5 m -137.93 169.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.424 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . . . -154.47 110.35 3.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -37.17 138.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -32.04 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.33 12.56 13.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.958 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' B' ' 124' ' ' PRO . 19.9 mt 59.26 153.88 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.597 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.95 165.58 31.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.076 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.41 4.28 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.426 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 14.0 mt -58.01 131.97 83.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.521 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mm . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 51' ' ' VAL . 4.8 mm -85.37 125.3 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -132.9 128.62 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.5 p -89.69 134.13 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -61.5 129.07 39.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.475 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 26.7 mt -85.31 -21.9 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.475 ' CG ' ' C ' ' A' ' 31' ' ' LEU . 3.1 m-85 -153.92 144.46 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 7.5 m-20 -52.09 139.09 23.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.63 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.2 t80 -140.55 126.45 19.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -113.2 55.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 13.3 tp -89.35 155.96 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 5.9 m -110.96 137.82 48.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 18.3 p90 -148.22 -172.38 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -129.42 158.86 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 13.5 tmtt? -65.06 101.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.13 -1.4 9.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.92 150.13 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.51 138.69 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.6 mtm -131.23 147.63 52.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 65' ' ' LEU . 18.2 t -94.07 93.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.94 114.71 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CD2' HG11 ' A' ' 51' ' ' VAL . 7.7 mt -96.43 -55.09 3.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.715 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 18.6 m95 -78.41 134.93 37.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 4.2 m0 -122.44 153.48 39.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -94.21 98.42 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.68 162.15 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 2.7 tmm_? -109.9 124.47 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -58.52 134.12 56.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.2 mp -90.07 22.38 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.71 -37.52 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -123.77 -1.76 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.5 OUTLIER 61.68 17.26 8.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 23.0 mtpt -64.96 177.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 31.9 mt-10 -147.62 121.95 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . -175.18 160.76 29.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.9 m-85 -65.98 142.64 57.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -136.73 152.07 73.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 128.52 11.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.549 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 1.9 t -72.93 -26.01 61.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.511 ' HB3' ' CD1' ' B' ' 125' ' ' LEU . 15.6 p-10 -74.79 -1.36 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.648 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -119.11 15.28 13.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 10.1 m -140.49 166.96 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 31' ' ' LEU . . . -151.79 110.33 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -37.37 138.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.41 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.2 12.18 12.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.511 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 18.2 mt 57.88 157.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.715 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.472 HD22 ' O ' ' A' ' 76' ' ' ASN . 13.1 mt -48.95 129.63 14.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.648 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.463 ' CD1' HG21 ' A' ' 51' ' ' VAL . 4.9 mm -90.67 130.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.1 m -136.15 134.18 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -93.43 135.76 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -65.21 119.12 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 66.2 mt -75.35 -16.11 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.67 ' CE2' ' CD1' ' B' ' 128' ' ' LEU . 1.6 m-85 -159.54 149.36 18.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 2.6 m-20 -58.72 140.61 54.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.4 t80 -141.2 132.82 27.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -122.75 57.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 59' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 11.5 tp -92.39 152.54 19.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 p -106.83 137.13 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.6 p90 -145.95 -172.64 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -129.0 158.22 39.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 2.1 tttt -63.69 103.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.06 1.71 12.75 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.88 135.97 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 0.728 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -100.95 136.49 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.3 mtm -127.59 149.81 50.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 27' ' ' ILE . 66.3 t -94.62 93.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -60.73 118.64 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.0 mt -99.45 -53.5 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 24.2 mm-40 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 27.4 m95 -79.78 135.98 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.3 m0 -120.74 151.34 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 108.044 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.1 tttt -94.23 97.33 10.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -115.41 160.28 20.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -108.74 124.06 49.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.81 128.2 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.75 15.51 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.34 -32.9 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 31.2 p -128.93 11.22 6.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.439 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 2.7 ptp180 45.98 27.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 25.1 mttm -70.57 179.11 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -150.81 123.62 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.89 168.69 39.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.4 m-85 -74.74 138.38 42.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 0.743 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.41 151.18 76.98 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -74.9 140.26 25.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -82.03 -31.65 30.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.517 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 33.1 p-10 -67.85 -8.56 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.507 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -112.39 8.26 19.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.911 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.58 167.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -154.23 110.77 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.14 137.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -33.22 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.87 12.76 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 N-CA-C 111.04 -0.408 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.488 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 20.5 mt 59.08 151.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.99 165.83 30.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 116.96 4.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.2 mm? -56.92 133.36 79.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.507 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.423 HD13 ' NE ' ' A' ' 80' ' ' ARG . 3.6 mm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 51' ' ' VAL . 13.0 mm -78.64 124.46 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -133.18 127.92 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.71 135.56 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.535 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -64.81 122.06 16.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.8 mt -76.06 -36.03 59.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.678 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.8 m-85 -137.46 158.29 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.05 135.48 55.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.593 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.7 t80 -133.63 131.26 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -121.15 57.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.486 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 11.5 tp -107.7 150.76 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.9 p -102.58 144.11 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 23.8 p90 -156.54 177.15 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -121.72 160.0 25.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -60.86 108.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -2.02 22.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.02 134.29 37.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -101.31 128.78 47.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.387 1.054 . . . . 0.0 110.255 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.1 mtm -122.64 151.59 41.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' A' ' 27' ' ' ILE . 56.6 t -97.51 94.12 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -60.08 114.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 mt -96.0 -53.62 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.303 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 9.0 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.649 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 14.4 m95 -71.13 133.75 46.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.582 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 5.1 m0 -121.53 153.74 37.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -94.9 98.42 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -116.58 159.37 22.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.224 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.6 126.16 52.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -58.56 131.23 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.1 mt -87.46 17.46 4.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.63 -35.21 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 20.3 p -127.94 12.01 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.474 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 1.9 ptp85 46.16 25.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 15.7 mttm -68.78 176.69 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -148.59 126.74 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.32 166.84 35.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.5 m-85 -73.85 138.71 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.43 153.17 79.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.489 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.98 141.12 26.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.582 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -85.07 -24.83 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.984 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -75.28 -3.32 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.529 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -116.3 11.22 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.4 m -134.73 169.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -153.95 108.14 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -36.43 137.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -32.25 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.49 12.57 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' B' ' 124' ' ' PRO . 20.1 mt 59.22 154.09 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.649 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 163.45 35.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.32 4.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.48 HD21 ' CE2' ' A' ' 32' ' ' TYR . 13.1 mt -55.27 134.68 69.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.678 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.6 mm -82.45 129.62 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.0 128.85 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -88.36 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.516 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -68.78 121.81 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 19.0 mt -77.6 -35.3 52.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.576 ' CE2' ' CD2' ' B' ' 128' ' ' LEU . 2.2 m-85 -137.19 151.5 48.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.96 138.28 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.4 t80 -137.38 134.86 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.1 mt-10 -126.81 58.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 10.5 tp -97.21 154.22 17.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.5 p -107.83 137.13 46.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -148.62 -178.91 6.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -123.56 160.57 26.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 3.2 tttt -62.02 108.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.0 0.7 24.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.59 136.33 36.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' NE2' HG21 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -102.0 132.41 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.6 mtm -127.46 149.47 50.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.0 t -96.54 95.0 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.0 t -59.86 123.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 mt -106.3 -53.56 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 110.331 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.714 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 28.2 m95 -79.91 132.85 36.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 107.969 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.579 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.8 m0 -121.71 151.2 40.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -92.77 98.51 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.52 157.22 26.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 4.2 tmm_? -106.43 125.11 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 13.3 t -57.73 132.67 53.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 mt -88.39 18.6 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.84 -36.21 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 10.1 p -127.81 12.01 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.3 OUTLIER 46.53 26.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 56.1 mttt -69.2 176.77 3.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -148.0 124.62 11.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.88 162.8 29.55 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.5 m-85 -69.8 138.52 52.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.79 151.92 77.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 140.84 25.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -84.87 -26.65 27.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.432 ' O ' HD22 ' B' ' 128' ' ' LEU . 28.0 p-10 -73.35 -5.81 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.562 ' CE1' HD21 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -113.14 2.58 15.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.17 169.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -153.03 109.13 3.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -37.56 137.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.35 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.05 12.02 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' B' ' 124' ' ' PRO . 28.2 mt 60.53 149.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.714 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 166.32 29.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 119.67 5.76 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.576 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -63.76 133.97 95.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.987 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CD1' HG22 ' A' ' 51' ' ' VAL . 7.2 mm -87.76 127.86 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.9 m -134.79 127.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -87.09 134.57 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -63.9 121.72 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' TYR . 30.1 mt -76.23 -23.78 54.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.3 m-85 -152.09 150.78 30.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.44 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 28.8 p-10 -56.78 143.64 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.1 t80 -144.7 130.27 18.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -122.79 59.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.1 tp -86.66 152.72 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -108.27 138.08 45.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.635 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.3 p90 -145.26 -171.78 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -130.31 155.08 46.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.1 tmtt? -62.22 102.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.31 -1.52 10.53 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.47 144.62 28.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -106.94 138.3 43.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.9 mtm -129.84 150.26 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.9 t -95.7 94.17 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 5.9 t -61.5 126.87 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.36 -50.45 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.536 ' CZ3' ' HB3' ' A' ' 74' ' ' PRO . 22.0 m95 -70.12 133.57 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.7 m0 -124.09 152.37 42.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 6.2 tttt -93.38 96.68 10.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -114.22 160.89 18.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -110.62 122.75 48.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.45 128.31 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.23 31.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.68 -42.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.5 p -121.4 -4.4 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 68.49 22.76 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . 20.1 mttt -74.27 138.98 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 13.8 mt-10 -111.74 134.04 53.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 173.25 162.05 24.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.585 1.178 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.1 m-85 -68.05 146.23 53.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -141.64 152.29 62.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.93 134.78 18.37 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.45 1.763 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -79.05 -28.38 43.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.46 ' CG ' HD23 ' B' ' 125' ' ' LEU . 26.1 p-10 -72.45 -5.79 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -113.29 10.5 18.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.6 m -134.41 169.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -153.83 110.64 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.429 ' CZ ' ' CD1' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -38.43 137.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.83 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -86.92 11.53 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.46 HD23 ' CG ' ' A' ' 76' ' ' ASN . 23.2 mt 60.8 153.53 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.518 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.99 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.4 134.06 62.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.1 mm . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.417 HG22 ' NE2' ' A' ' 49' ' ' GLN . 10.2 mm -84.06 127.13 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.19 132.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.9 p -91.72 136.71 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -67.58 116.91 8.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.457 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 59.6 mt -73.2 -23.12 60.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.798 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.1 m-85 -152.46 148.54 27.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.435 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 34.3 p-10 -55.93 146.98 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.622 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.3 t80 -149.05 124.73 10.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -113.14 55.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 13.3 tp -96.36 151.0 19.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 p -105.16 139.8 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.0 p90 -147.3 -171.36 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -129.94 157.67 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.231 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -64.87 101.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.27 5.91 9.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 147.45 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.373 0.69 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.417 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.1 mt-30 -108.8 137.46 46.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.432 ' HE2' ' CG ' ' A' ' 44' ' ' PHE . 9.8 mtm -130.79 148.61 52.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 65' ' ' LEU . 56.1 t -95.15 95.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.407 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 4.7 t -61.94 122.13 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.27 -52.04 3.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.7 mm-40 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.575 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 38.7 m95 -69.98 130.24 41.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 9.8 m0 -117.85 152.94 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 107.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.5 tttm -98.01 97.1 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -115.08 168.13 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 2.1 tmm_? -116.63 123.77 48.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 8.8 t -54.63 133.11 46.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.431 HD12 ' CG2' ' A' ' 51' ' ' VAL . 10.8 mp -90.78 23.65 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.4 -39.31 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 p -122.04 -4.12 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.412 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 64' ' ' SER . 4.4 mmm180 64.97 21.32 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 14.7 mttt -70.08 178.06 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 61' ' ' LYS . 19.0 mt-10 -145.19 147.87 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . 159.85 165.14 16.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.1 m-85 -72.74 139.42 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pt -133.41 151.57 77.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.01 130.7 13.5 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.532 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 4.1 t -75.44 -26.35 58.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.575 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 18.4 p-10 -72.98 -5.76 40.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.677 ' OH ' ' HD3' ' B' ' 129' ' ' PRO . 0.7 OUTLIER -114.58 6.18 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 m -126.72 171.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -158.43 110.05 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.521 ' CZ ' ' CD1' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -38.1 138.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -32.43 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.11 11.83 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.575 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 13.8 mt -40.39 154.99 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.575 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.02 163.36 35.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.76 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 117.9 5.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.798 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -56.91 130.93 79.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.677 ' HD3' ' OH ' ' A' ' 77' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 mm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 51' ' ' VAL . 14.0 mm -81.25 122.61 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.43 129.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -89.22 142.98 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.236 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.538 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -74.76 114.61 13.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 40.7 mt -70.78 -37.4 73.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE2' ' CD2' ' B' ' 128' ' ' LEU . 1.5 m-85 -133.8 158.5 43.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.46 138.62 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.6 t80 -137.68 134.78 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.98 56.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.414 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 11.2 tp -107.19 152.77 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.0 p -105.47 143.45 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.0 p90 -155.69 176.61 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -120.43 155.29 33.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 4.5 tttt -56.2 109.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.12 -2.14 24.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.48 136.13 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.3 mm-40 -104.28 127.5 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mtm -122.08 151.06 41.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 27' ' ' ILE . 53.0 t -95.85 94.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.27 119.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -102.42 -52.83 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.267 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.654 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 17.0 m95 -70.71 134.88 47.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.544 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.5 m0 -121.93 150.86 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.3 tttt -93.35 97.16 10.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -116.35 159.37 22.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -108.51 126.39 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 2.3 t -57.84 132.32 53.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.4 mt -88.08 19.15 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.22 -38.81 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 24.0 p -124.17 12.26 8.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' THR . 19.8 ptt-85 46.43 24.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . 61.4 mttt -66.94 176.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -149.25 128.72 13.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.13 169.6 38.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.0 m-85 -77.25 131.6 38.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -125.55 151.65 70.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.493 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.99 139.44 24.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.544 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 1.8 t -85.34 -24.14 27.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 110.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 27.6 p-10 -74.12 -8.91 57.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.528 ' CE1' HD22 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -108.85 -15.35 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 75' ' ' SER . 4.2 m -102.97 174.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -159.61 107.75 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -36.0 139.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.24 55.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -87.04 11.96 12.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.444 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 17.4 mt 59.65 154.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.654 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.06 164.03 34.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.528 HD22 ' CE1' ' A' ' 77' ' ' TYR . 14.0 mt -62.96 133.16 95.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.454 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.6 mm -85.37 128.56 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.12 131.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.167 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -90.17 136.24 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.543 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -67.11 116.47 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.4 mt -69.13 -39.7 78.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.74 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.4 m-85 -131.78 164.3 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -71.47 137.8 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.523 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 58.1 t80 -136.26 133.38 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -126.78 60.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.4 tp -93.9 151.45 19.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -105.42 141.71 36.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 22.7 p90 -153.83 -179.38 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -125.16 155.47 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -56.99 110.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.65 -2.38 24.7 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 134.83 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.79 134.23 42.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.6 mtm -129.28 147.96 51.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 54.2 t -93.35 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.82 118.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 mt -98.59 -53.36 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.475 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 67.3 m95 -67.85 115.21 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 11.7 m0 -103.22 151.26 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.61 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 12.0 tttm -96.31 99.45 11.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -118.06 167.55 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -118.52 123.24 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 48.0 t -51.77 130.58 29.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.96 21.21 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.51 -38.25 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 p -121.58 0.89 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 64' ' ' SER . 5.9 mtt-85 58.2 21.16 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 24.4 mttt -67.26 177.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' N ' HD12 ' A' ' 42' ' ' LEU . 18.3 mt-10 -146.36 140.84 26.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.66 165.46 23.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.431 1.082 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.61 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.2 m-85 -75.17 131.83 40.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -124.75 151.97 68.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HG3' ' HG3' ' B' ' 126' ' ' PRO . 18.4 Cg_endo -75.06 136.62 20.52 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.567 1.825 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -80.02 -29.06 39.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.503 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 27.7 p-10 -72.15 -4.32 28.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.463 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -114.62 5.98 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -128.6 170.32 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -156.23 109.71 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -37.66 138.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -33.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -86.78 10.65 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.823 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.503 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 22.6 mt 61.57 155.44 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.475 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.95 165.7 30.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.604 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 17.8 mt -59.42 134.68 88.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.74 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . 0.458 HD12 ' CZ ' ' A' ' 80' ' ' ARG . 24.1 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.6 mm -91.75 129.57 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.22 128.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p -87.52 136.52 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.434 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . . . -67.44 118.27 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -72.96 -34.01 66.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 3.2 m-85 -137.56 161.68 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.97 141.49 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.545 ' CB ' ' CZ ' ' A' ' 44' ' ' PHE . 68.1 t80 -141.67 127.42 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -118.32 58.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.494 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 11.6 tp -89.45 151.06 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.8 p -106.31 146.25 30.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 34' ' ' TYR . 23.5 p90 -156.37 -177.53 6.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -127.68 161.33 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -62.4 107.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.162 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.54 -2.24 20.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.12 136.23 37.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -102.93 129.98 49.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.4 mtm -125.47 147.99 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.9 t -93.97 95.36 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 t -61.42 118.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -98.59 -54.32 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.1 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.622 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 37.0 m95 -73.84 134.25 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 107.996 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.565 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 13.3 m0 -121.07 153.91 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 107.963 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 8.0 tttm -97.41 97.46 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.88 166.17 12.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 3.0 tmm_? -115.92 125.05 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.359 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.66 131.64 47.0 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 110.054 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 65' ' ' LEU . 11.2 mp -89.85 22.12 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.55 -38.18 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.387 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -124.36 -2.35 8.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' SER . 6.8 mtp180 64.56 21.8 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 24.3 mttm -64.92 177.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.441 ' HB3' ' NZ ' ' A' ' 61' ' ' LYS . 28.3 mt-10 -149.82 133.5 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 172.07 172.39 37.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.5 m-85 -79.29 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -131.49 152.95 81.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.439 ' HG3' ' HG3' ' B' ' 126' ' ' PRO . 18.1 Cg_endo -75.06 137.94 22.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 12.1 t -82.5 -26.46 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.575 1.172 . . . . 0.0 109.938 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.445 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 23.6 p-10 -74.06 -3.55 30.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.474 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -115.12 5.74 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 m -128.79 169.3 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.61 108.73 2.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.458 ' CZ ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -36.4 135.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -32.08 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -86.47 11.26 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.012 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.944 0 N-CA-C 111.075 -0.394 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.445 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 14.0 mt 59.52 154.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.08 164.07 33.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.62 6.16 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.529 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -61.81 132.49 93.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mm . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 51' ' ' VAL . 6.1 mm -87.35 127.09 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.7 m -135.19 124.82 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.4 p -86.58 135.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -61.96 127.69 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.604 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 46.8 mt -84.45 -16.66 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.8 m-85 -160.19 150.88 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.94 136.6 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 68.5 t80 -136.78 143.69 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -133.2 55.88 1.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.533 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 4.1 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.4 tp -100.18 152.11 20.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.6 p -106.47 133.64 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.5 p90 -141.79 -170.97 3.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -130.66 160.47 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -65.53 103.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.38 -1.15 12.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.91 137.26 33.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -101.43 140.13 36.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.2 mtm -131.91 147.77 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.497 HG23 ' CD1' ' A' ' 65' ' ' LEU . 11.9 t -93.65 95.23 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.28 113.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.363 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.441 ' CD2' HG11 ' A' ' 51' ' ' VAL . 11.0 mt -92.59 -55.44 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.769 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 23.0 m95 -73.05 134.17 44.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.4 m0 -122.24 155.25 36.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 4.1 tttt -96.84 98.95 10.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.23 163.48 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 1.1 tmm_? -110.96 123.73 50.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 7.3 t -56.45 130.84 46.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' A' ' 51' ' ' VAL . 11.1 mp -89.15 21.68 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.63 -37.54 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -121.74 -7.28 9.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.569 1.168 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER 67.2 20.14 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 27.8 mttm -68.73 177.21 2.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 122.85 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.35 165.42 36.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.568 1.167 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.588 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.1 m-85 -71.59 139.18 49.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.98 152.85 78.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 145.22 31.07 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -86.85 -28.15 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.769 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 30.3 p-10 -71.59 -4.77 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -115.41 14.47 16.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.2 m -140.03 166.08 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -152.91 107.28 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -36.41 141.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -34.45 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.69 10.62 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.978 -0.431 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 124' ' ' PRO . 14.4 mt 57.72 156.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.769 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -74.99 166.85 28.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.769 ' CD2' ' ND2' ' A' ' 76' ' ' ASN . 1.8 mm? -64.78 131.52 95.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.452 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.594 1.839 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.3 mm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.9 mm -86.67 125.02 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.41 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 p -92.54 134.24 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.24 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . . . -62.86 121.06 12.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.0 mt -74.78 -30.72 61.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.5 m-85 -141.56 165.03 28.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.16 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 45.6 t80 -139.62 138.86 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -125.87 54.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.1 tp -109.38 154.92 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.4 p -109.07 134.83 51.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.2 p90 -147.72 178.52 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 62.0 mt-30 -123.13 154.36 38.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -56.48 108.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.34 17.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -75.23 141.34 43.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -107.11 131.79 53.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.4 mtm -126.05 146.21 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 42.3 t -91.62 94.5 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.419 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 3.3 t -61.92 115.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.67 -53.42 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 15.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CH2' ' HD3' ' B' ' 126' ' ' PRO . 22.7 m95 -72.54 132.94 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 107.944 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 8.6 m0 -117.75 151.15 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.2 tttt -94.72 97.73 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.419 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -116.9 159.24 22.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 2.6 tmm_? -108.95 123.06 48.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -54.37 131.92 43.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.433 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.9 mp -89.39 21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.21 -37.77 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.4 ' CB ' ' HD2' ' A' ' 69' ' ' LYS . 3.4 p -121.24 -5.53 9.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 64' ' ' SER . 1.8 mtt85 63.92 21.42 12.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 18.1 mttt -70.84 179.33 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 21.2 mt-10 -147.6 128.43 14.37 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.12 159.28 24.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 27.7 m-85 -69.63 129.21 39.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -121.78 152.66 59.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.91 132.7 15.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 11.0 t -77.28 -25.04 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -76.81 0.0 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CZ ' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -119.64 11.09 11.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.5 m -134.17 170.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.378 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -156.07 108.93 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -36.36 141.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -31.74 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.08 10.55 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.929 -0.45 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 17.9 mt 59.55 154.7 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.596 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.07 164.27 33.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.569 1.826 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.59 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.554 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -57.77 134.29 82.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.478 ' CD1' HG23 ' A' ' 51' ' ' VAL . 6.3 mm -86.3 125.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.06 128.49 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.364 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -89.07 137.44 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 45' ' ' GLN . . . -66.56 122.43 17.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.61 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 55.1 mt -79.31 -17.1 55.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.1 m-85 -158.65 146.68 18.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 149.93 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.625 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 67.7 t80 -152.3 127.69 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -120.89 59.5 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.478 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 10.5 tp -101.31 155.24 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.3 p -108.33 137.96 45.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.054 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.8 p90 -146.73 -171.53 3.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.406 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 37.3 mt-30 -130.04 157.57 42.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -64.88 102.18 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.91 10.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.37 148.18 29.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -110.53 135.16 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.0 mtm -128.11 148.25 50.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.618 1.199 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' A' ' 27' ' ' ILE . 32.6 t -93.97 95.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.5 119.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.209 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 51' ' ' VAL . 9.2 mt -102.05 -51.53 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.609 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 13.3 m95 -72.06 136.94 46.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 108.095 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 5.5 m0 -123.47 154.33 39.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.92 96.89 9.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.59 165.17 12.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -114.42 125.79 54.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -60.21 132.64 54.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 51' ' ' VAL . 10.8 mp -88.11 17.41 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.33 -32.61 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 15.0 p -132.07 12.56 4.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.42 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 10.4 ptp180 46.46 24.45 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 52.9 mttt -67.38 176.25 2.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.403 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 45.9 mt-10 -149.54 126.23 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.49 165.22 32.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.0 m-85 -70.35 139.8 52.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.32 152.23 77.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 126.19 9.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.526 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 1.4 t -72.12 -25.88 61.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.443 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 19.1 p-10 -73.73 -6.44 46.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.474 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.7 OUTLIER -113.05 9.23 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.6 m -132.18 171.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 31' ' ' LEU . . . -156.83 111.49 2.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -38.75 141.33 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.06 -28.01 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.54 8.82 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.888 -0.466 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.443 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 22.7 mt 59.33 153.71 0.09 OUTLIER Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.88 165.31 31.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 111.033 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' B' ' 129' ' ' PRO . 12.6 mt -58.44 131.31 84.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.474 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 51' ' ' VAL . 8.2 mm -84.6 128.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.39 131.18 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -91.26 136.91 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 45' ' ' GLN . . . -65.17 123.65 20.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 60.9 mt -80.71 -15.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.5 m-85 -159.01 151.02 20.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.14 143.24 44.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 78.1 t80 -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -117.32 60.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.483 ' N ' ' OG ' ' A' ' 43' ' ' SER . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.2 tp -100.6 149.6 23.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.1 m -103.08 142.09 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 17.4 p90 -152.33 -175.07 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 71.3 mt-30 -127.67 156.58 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -62.26 102.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.3 -1.34 9.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.76 147.36 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.432 ' NE2' HG22 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -109.36 142.07 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mtm -134.36 147.5 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 27' ' ' ILE . 46.5 t -94.82 94.85 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.414 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 6.6 t -60.27 118.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.73 -53.48 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 27.7 m95 -73.74 123.98 25.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.7 m0 -112.91 155.72 24.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -97.86 97.46 8.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -117.42 161.98 18.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 2.9 tmm_? -109.36 130.48 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 3.5 t -61.71 134.08 56.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.449 HD11 ' CG2' ' A' ' 51' ' ' VAL . 7.0 mp -89.25 20.67 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.48 -39.2 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.646 1.216 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 2.8 p -128.6 16.12 6.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 46.48 23.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.231 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . 48.5 mttt -65.45 171.8 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -143.86 134.69 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.19 165.98 28.42 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.7 m-85 -72.47 138.23 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.488 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -132.3 150.85 77.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.465 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.04 131.72 14.57 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.589 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -75.62 -28.63 58.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.053 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -71.01 -6.74 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.541 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.7 OUTLIER -113.97 8.24 17.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.83 168.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . . . -153.7 112.09 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.97 138.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -33.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.58 11.84 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' B' ' 124' ' ' PRO . 24.8 mt 60.24 149.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.675 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.6 Cg_endo -74.98 166.58 28.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.593 1.838 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.74 6.77 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.78 131.8 93.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.541 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.405 HG23 ' NE2' ' A' ' 49' ' ' GLN . 10.2 mm -86.07 129.02 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.9 m -135.86 127.75 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.3 p -88.48 137.6 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 45' ' ' GLN . . . -66.75 120.73 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.497 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 18.3 mt -73.98 -28.4 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.754 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 4.9 m-85 -142.68 170.4 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.24 135.52 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 57.8 t80 -136.24 141.22 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -132.1 58.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.469 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.6 tp -99.89 154.7 18.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.5 p -109.08 135.31 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -146.47 -179.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . 0.416 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 59.1 mt-30 -124.71 155.5 39.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tttt -57.69 107.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.93 -1.53 21.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.04 133.24 35.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 0.723 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.405 ' NE2' HG23 ' A' ' 27' ' ' ILE . 1.2 mm-40 -99.26 132.09 44.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.8 mtm -126.92 146.83 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.7 t -93.45 97.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.413 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 6.4 t -62.82 117.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.185 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.3 -53.49 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 28.5 m95 -72.78 131.38 42.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 7.7 m0 -119.49 150.7 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.967 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.601 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -93.8 97.5 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -115.64 165.8 12.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -113.59 130.76 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 13.8 t -62.97 129.31 39.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.402 HD12 ' N ' ' A' ' 65' ' ' LEU . 10.7 mp -85.24 8.17 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.99 -14.48 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 2.9 p -146.32 16.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 35.23 32.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 61.0 mttt -76.27 -178.32 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -152.19 124.48 8.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.91 28.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.601 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.6 m-85 -70.5 131.83 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -126.46 151.64 73.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.96 137.89 22.42 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -80.8 -29.15 36.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.188 . . . . 0.0 109.899 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -70.64 -6.83 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.59 7.7 17.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.7 m -131.22 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.46 109.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -36.98 140.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.44 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -86.74 12.31 11.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.92 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 124' ' ' PRO . 26.4 mt 59.1 152.62 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.06 160.96 39.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.465 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 12.4 mt -49.18 135.15 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.754 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.102 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.463 ' CD1' HG23 ' A' ' 51' ' ' VAL . 8.3 mm -83.35 127.55 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.7 m -135.25 131.71 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.7 p -91.4 137.47 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.535 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -67.74 117.45 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 27.4 mt -71.86 -37.61 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.63 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 1.6 m-85 -135.91 152.58 51.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.77 137.39 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 66.0 t80 -138.1 132.68 32.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.2 mt-10 -126.07 60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.454 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 32.2 m-20 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 9.7 tp -96.41 156.64 16.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 p -109.08 138.28 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.535 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 18.3 p90 -148.98 -176.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -124.92 156.7 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tttm -60.96 108.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.87 -6.72 17.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.481 1.113 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.67 142.3 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 27' ' ' ILE . 1.3 mm-40 -106.66 137.12 45.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 mtm -130.69 147.13 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 65' ' ' LEU . 25.4 t -92.43 94.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.424 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 3.1 t -61.04 112.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mt -94.03 -54.93 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.528 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 26.1 m95 -75.82 138.03 40.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 8.4 m0 -120.59 152.43 38.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.55 96.74 9.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -117.93 159.55 22.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 2.1 tmm_? -107.53 127.56 53.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -58.48 138.55 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.482 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.0 mp -93.07 18.36 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.84 -36.75 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -123.23 10.88 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.374 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 67' ' ' THR . 23.4 ptt180 43.59 26.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 63.1 mttt -72.26 176.22 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.89 124.77 12.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.74 161.27 26.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.0 m-85 -66.8 141.45 57.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.439 HG23 ' CD2' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -134.34 152.43 78.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.452 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.03 132.66 15.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.531 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 1.9 t -77.87 -25.72 48.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.438 ' CG ' ' HD2' ' B' ' 126' ' ' PRO . 25.5 p-10 -75.89 -1.53 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -117.37 5.81 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.2 m -130.31 168.28 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.72 110.12 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -37.06 138.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -32.14 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.14 11.31 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.998 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.433 HD21 ' CG ' ' A' ' 76' ' ' ASN . 21.0 mt 62.67 152.3 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.218 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.528 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.9 166.11 29.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 113.43 3.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 19.3 mt -59.63 135.33 89.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.63 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 mm . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' HG23 ' A' ' 51' ' ' VAL . 9.1 mm -89.7 122.5 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.22 129.51 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.75 142.68 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.55 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -74.89 115.99 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 25.5 mt -72.34 -35.6 68.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.553 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.0 m-85 -135.88 149.52 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.63 136.61 58.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.3 t80 -134.83 127.12 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.76 57.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.497 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.486 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.7 tp -98.23 146.75 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.3 m -100.37 139.63 35.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.8 p90 -152.44 175.44 12.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -118.75 158.96 24.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -59.83 109.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.62 -3.47 23.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.33 136.0 42.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 0.804 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.47 128.51 50.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.0 mtm -124.3 150.3 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.455 HG23 ' CD1' ' A' ' 27' ' ' ILE . 52.7 t -95.71 93.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.417 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 3.1 t -60.01 113.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.02 -54.97 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.1 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.556 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 26.1 m95 -70.11 138.44 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 108.012 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 7.8 m0 -121.33 150.93 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.3 tttt -93.62 97.82 10.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 1.06 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -116.55 164.45 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -112.09 134.16 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 2.8 t -68.04 132.11 46.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 51' ' ' VAL . 6.5 mp -87.35 12.21 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.25 -15.29 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 3.0 p -152.21 20.57 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 36.63 30.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' THR . 55.2 mttt -70.6 177.95 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -151.69 127.82 10.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.223 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.03 161.84 25.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.9 m-85 -68.25 135.79 52.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -130.71 151.62 79.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.59 19.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -81.56 -23.42 37.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 24.9 p-10 -75.33 -7.58 54.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.524 ' CE1' HD22 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -111.37 -4.63 14.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.956 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.1 m -113.45 174.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -160.19 106.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -36.64 139.1 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -29.66 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 8.11 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.426 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 17.6 mt 59.47 151.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 163.45 35.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.84 6.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.543 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 12.1 mt -62.09 134.24 94.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.218 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 51' ' ' VAL . 5.7 mm -86.72 128.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.15 132.79 50.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -92.85 138.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.427 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . . . -67.61 121.25 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 79.8 mt -78.28 -15.52 58.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.2 m-85 -159.28 150.4 19.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 147.99 24.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.619 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.9 t80 -149.71 131.07 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.57 58.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.474 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 10.6 tp -99.42 153.72 18.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 p -107.1 138.61 42.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 110.099 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 16.0 p90 -146.84 -171.9 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -130.52 157.68 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -63.74 102.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.69 4.53 10.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -88.48 139.46 30.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.421 ' NE2' HG23 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -103.03 134.47 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.5 mtm -126.92 148.8 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.476 HG23 ' CD1' ' A' ' 27' ' ' ILE . 27.1 t -94.24 95.18 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -60.47 117.3 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LEU . . . . . 0.417 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.5 mt -99.75 -54.06 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.949 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TRP . . . . . 0.566 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 33.1 m95 -74.0 133.98 43.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.3 m0 -120.16 150.56 40.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -94.19 97.76 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -115.57 168.36 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 2.9 tmm_? -116.69 126.04 52.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -60.39 131.07 49.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.471 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.2 mp -86.91 14.07 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.95 -25.86 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 70.3 p -138.08 11.31 2.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 11.5 ptt180 46.52 24.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 56.9 mttt -67.79 177.38 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 20.1 mt-10 -149.57 130.45 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.12 170.82 38.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.584 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 16.2 m-85 -75.98 137.4 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -132.81 152.41 79.8 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 1.4 t -80.91 -28.45 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 32.3 p-10 -71.75 -6.31 40.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -113.05 6.11 17.49 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -129.47 170.56 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.21 112.13 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.37 139.55 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -32.57 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.26 12.4 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.082 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 124' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.455 -0.79 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 125' ' ' LEU . . . . . 0.468 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 17.0 mt 59.74 152.25 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 126' ' ' PRO . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.02 167.25 27.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.4 6.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . 0.581 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.4 mm? -62.57 131.84 94.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 129' ' ' PRO . . . . . 0.441 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.75 8.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.1 mt -151.29 152.38 33.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.04 141.24 7.57 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -115.72 123.48 31.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.19 13.2 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.43 1.753 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.49 89.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.97 9.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.93 91.83 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 109.237 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -53.28 152.91 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.085 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -147.97 170.25 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.543 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -169.92 163.88 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -142.86 141.3 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 172.94 139.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.191 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.4 p -95.74 146.95 32.22 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.19 68.26 0.35 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.9 mm -56.39 144.15 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.28 150.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.19 171.27 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.294 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.9 179.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.1 69.43 1.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 2.9 m -76.46 -177.42 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' SER . 3.2 mm-40 160.82 111.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -159.92 95.67 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm -79.45 101.14 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 109.208 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 51' ' ' VAL . 5.1 mm -89.9 127.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.9 m -134.39 132.6 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.9 p -92.06 133.71 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.523 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -61.73 124.13 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 68.5 mt -80.38 -16.54 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.589 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 3.0 m-85 -159.13 148.08 18.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.79 138.67 52.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.6 t80 -139.91 128.4 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -121.83 60.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.31 89.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.38 -49.15 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.584 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.9 OUTLIER -119.38 166.55 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.607 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -54.97 171.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.644 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 43.42 68.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.532 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 9.8 m-20 -166.69 144.88 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.3 tp -93.3 154.31 18.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 p -108.46 136.68 47.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.7 p90 -145.3 -171.33 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 39.7 mt-30 -129.3 159.09 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -66.25 103.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.94 -4.2 10.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.31 145.37 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 109.271 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -106.86 141.9 37.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.0 mtm -132.93 147.71 52.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 27' ' ' ILE . 56.0 t -94.15 93.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.444 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 4.7 t -60.94 119.77 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.24 -52.94 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -118.85 140.17 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.516 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.5 tm-20 -133.87 74.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.67 -61.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.79 -93.56 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.404 1.065 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -87.85 -61.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.584 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 25.8 m95 -75.36 132.98 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.544 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 6.0 m0 -119.9 152.02 38.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 108.028 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -94.64 98.1 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -117.3 156.35 27.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -104.13 122.44 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.443 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 19.5 t -54.04 130.91 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 mt -89.3 22.52 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.99 -37.55 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -125.39 1.22 7.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.443 ' HA ' ' O ' ' A' ' 64' ' ' SER . 7.0 mtm-85 59.75 24.11 13.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 45.0 mttt -68.89 176.96 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -147.49 121.12 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.4 161.9 30.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 19.9 m-85 -68.56 140.85 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 0.818 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.91 152.08 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.487 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.05 135.27 18.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.417 1.746 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.544 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 3.6 t -78.65 -30.11 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.409 ' HB3' ' CD1' ' B' ' 125' ' ' LEU . 25.4 p-10 -69.8 -7.46 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.553 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.36 13.15 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.3 m -138.49 167.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.468 ' HB3' ' CD2' ' A' ' 31' ' ' LEU . . . -154.27 112.22 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.427 ' CZ ' ' CD1' ' A' ' 26' ' ' ILE . 0.5 OUTLIER -39.47 137.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -33.06 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.52 12.53 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.0 t -119.1 25.45 10.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.0 mt -98.38 148.49 23.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' THR . 2.4 mm-40 -131.99 132.53 43.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' GLU . 63.6 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.59 ' O ' ' CD2' ' B' ' 120' ' ' HIS . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' B' ' 119' ' ' ACE . 0.8 OUTLIER -178.29 121.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.553 . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 83.3 p -98.36 93.19 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.9 -44.16 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -109.21 151.19 41.89 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.121 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo -75.07 53.94 3.52 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.458 1.767 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' B' ' 124' ' ' PRO . 24.8 mt 59.02 154.3 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -74.96 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 114.02 3.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.49 131.13 63.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.562 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo -74.98 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -73.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 110.016 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 4.2 pp -96.64 166.15 11.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 177.85 8.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 0.0 111.049 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.94 140.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.14 149.46 4.99 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.13 93.11 0.63 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 168.42 24.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.94 98.45 0.12 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.59 12.51 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.426 1.751 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.05 95.99 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -44.89 150.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.95 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.47 144.05 13.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 109.577 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -147.14 110.63 4.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 p -142.79 128.95 19.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -174.67 122.74 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.4 p -59.12 159.7 13.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.394 1.734 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.4 87.04 0.81 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mt -96.87 142.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 109.354 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -128.67 142.78 50.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.254 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 174.76 176.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.65 103.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.36 65.22 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.1 -173.56 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 70.54 87.67 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -163.34 102.31 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 4.1 mm -85.15 98.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.7 mm -85.51 129.34 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 m -136.89 133.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -92.39 134.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -62.7 125.87 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 42.3 mt -81.83 -17.61 46.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.597 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.7 m-85 -157.8 145.88 18.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -56.1 137.45 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 76.2 t80 -137.79 127.65 25.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -118.04 60.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.371 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.65 88.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.498 HD11 ' HB3' ' B' ' 126' ' ' PRO . 85.1 mt -65.37 -53.86 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.64 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -109.31 -169.78 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.605 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.523 ' O ' ' C ' ' A' ' 40' ' ' GLU . 5.9 t60 -75.88 -175.98 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.625 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 39' ' ' HIS . 0.4 OUTLIER 28.48 60.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.524 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -151.52 138.97 19.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.35 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.496 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 11.5 tp -88.87 150.62 22.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.7 p -106.95 146.79 30.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.0 p90 -153.94 -172.35 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 74.0 mt-30 -128.63 155.01 45.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -62.42 103.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.68 -2.56 12.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -83.75 143.65 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.369 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.05 142.36 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 24.9 mtm -132.21 152.44 51.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.4 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 71.5 t -97.94 94.3 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 8.8 t -61.26 116.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.2 mt -97.91 -52.91 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -119.66 141.1 49.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.6 tm-20 -140.44 75.85 1.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.2 m -72.25 -55.92 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.42 ' O ' ' NE1' ' A' ' 60' ' ' TRP . . . -124.85 -144.74 6.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.384 1.053 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -59.75 -44.0 94.03 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.414 0.714 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.64 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 25.3 m95 -84.36 135.25 34.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 6.2 m0 -121.16 152.87 38.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -95.33 98.08 10.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.416 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -117.19 159.95 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.91 122.88 48.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -52.36 131.95 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.41 24.74 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.94 -42.0 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -112.45 -15.19 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.8 OUTLIER 72.26 24.59 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.463 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 23.1 mttt -74.4 -179.83 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 35.2 mt-10 -148.98 125.71 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.08 167.05 37.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.9 m-85 -73.48 134.98 44.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.496 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -128.32 152.24 77.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.401 ' HG2' ' HB2' ' A' ' 77' ' ' TYR . 18.6 Cg_endo -74.94 131.18 14.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.551 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 5.7 t -75.15 -31.45 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.533 ' HB3' ' CD1' ' B' ' 125' ' ' LEU . 28.6 p-10 -69.88 -6.23 31.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -113.56 12.06 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.061 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -137.52 166.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.429 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . . . -152.29 113.71 4.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' CZ ' ' CD1' ' A' ' 26' ' ' ILE . 0.4 OUTLIER -39.66 140.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -34.56 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.04 10.98 14.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t -117.8 28.96 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.958 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -100.79 161.09 13.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 65.48 82.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.453 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.535 ' H2 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.09 121.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 81.6 p -51.63 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . 0.448 ' N ' ' OG ' ' B' ' 121' ' ' SER . 0.2 OUTLIER 72.39 -80.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -108.21 157.59 35.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.14 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.533 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 20.4 mt 60.31 153.87 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.555 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 165.48 31.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -51.72 132.88 37.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.597 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo -75.02 -67.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 53.6 p -175.52 120.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 52.8 tp -96.51 134.98 39.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.15 13.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.3 138.83 49.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.51 124.67 0.47 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.65 98.63 10.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.04 2.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.774 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.83 83.98 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 166.64 28.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.778 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.73 101.82 14.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -43.99 163.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -146.97 94.86 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -177.14 142.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -160.65 137.26 8.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 176.94 119.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.185 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.3 p -66.06 146.48 99.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.97 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.12 68.19 1.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mt -54.26 144.7 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -84.49 170.89 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -105.16 170.86 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.36 176.86 10.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.81 -70.65 0.3 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.55 -172.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 68.4 96.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.186 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -163.93 98.78 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mm -82.18 94.25 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.41 HG23 ' NE2' ' A' ' 49' ' ' GLN . 10.5 mm -84.49 128.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.0 m -134.16 129.5 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -90.25 134.79 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.494 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -64.03 124.65 22.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.431 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 34.8 mt -79.81 -23.81 41.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.474 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.6 m-85 -151.11 149.88 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.433 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 21.0 p-10 -56.77 142.19 41.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.1 t80 -144.42 126.83 15.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -119.78 58.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . 39.79 85.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 83.7 mt -64.63 -51.91 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.21 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.649 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 2.0 p-80 -115.93 159.83 21.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -55.07 166.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 53.61 58.85 4.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.592 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 15.7 m-20 -162.67 145.67 11.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.0 tp -92.64 152.75 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.1 p -106.52 143.69 34.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.606 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 12.5 p90 -150.62 -171.56 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -128.72 155.79 44.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.433 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.3 tmtt? -64.0 101.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.84 -2.2 10.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 149.98 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.41 ' NE2' HG23 ' A' ' 27' ' ' ILE . 1.5 mm-40 -110.74 140.21 45.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.7 mtm -132.84 146.48 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.474 HG22 ' CD1' ' A' ' 65' ' ' LEU . 46.8 t -93.47 96.33 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 12.0 t -62.0 118.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.5 mt -100.66 -53.99 2.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.0 mm-40 -113.16 128.69 56.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.579 1.174 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -139.5 76.16 1.55 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 p -92.99 -40.31 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.94 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' NE1' ' A' ' 60' ' ' TRP . . . -122.55 -158.54 10.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.12 -53.81 53.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 0.733 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.649 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 15.1 m95 -79.32 136.68 37.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 108.078 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.567 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.9 m0 -120.28 152.16 38.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 3.1 tttt -93.78 97.19 10.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.408 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -115.0 165.17 13.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.477 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 3.3 tmm_? -113.35 123.94 51.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.237 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 8.9 t -55.41 132.9 49.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.474 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.9 mp -89.57 22.48 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.19 -39.24 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.9 p -116.11 -10.92 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.416 ' HA ' ' O ' ' A' ' 64' ' ' SER . 36.4 mtt-85 67.58 19.99 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.477 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 15.7 mttm -70.43 179.99 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 23.0 mt-10 -147.99 124.82 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.16 168.55 40.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 22.4 m-85 -74.37 138.93 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.48 151.45 77.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 131.52 14.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.567 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 1.1 t -76.46 -25.94 54.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.6 p-10 -74.31 -3.23 28.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.521 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -117.15 12.87 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 11.5 m -137.93 169.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.424 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . . . -154.47 110.35 3.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -37.17 138.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -32.04 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.33 12.56 13.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t -118.7 28.85 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.958 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -103.26 159.83 15.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.61 82.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.403 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.523 ' H3 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 0.5 OUTLIER 175.78 129.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.628 . . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' SER . . . . . 0.521 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 7.1 t -55.66 -67.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.13 -69.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' B' ' 121' ' ' SER . 8.5 m-85 -121.83 159.74 49.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo -74.9 53.44 3.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.406 ' O ' ' O ' ' B' ' 124' ' ' PRO . 19.9 mt 59.26 153.88 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.597 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.95 165.58 31.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.076 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.41 4.28 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.426 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 14.0 mt -58.01 131.97 83.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.521 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.99 -161.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.27 83.48 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.46 -174.23 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 145.51 31.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.41 -67.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.24 163.92 23.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -154.12 129.46 5.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -176.26 2.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.425 1.75 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.45 110.2 0.23 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.49 6.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.02 94.86 4.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -48.05 157.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.067 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -171.69 167.04 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -172.82 155.69 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 m -167.72 148.12 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -167.57 149.95 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 47.2 p -72.36 147.83 90.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.4 Cg_endo -74.94 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.88 80.09 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 mt -86.14 148.54 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.399 0.706 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -128.75 150.74 50.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.59 167.92 28.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.594 1.184 . . . . 0.0 110.221 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.99 127.16 33.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.08 -49.9 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -171.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 69.24 99.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -160.83 95.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mm -79.11 99.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.473 ' CD1' HG23 ' A' ' 51' ' ' VAL . 4.8 mm -85.37 125.3 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.3 m -132.9 128.62 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.409 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.5 p -89.69 134.13 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -61.5 129.07 39.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.475 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 26.7 mt -85.31 -21.9 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.475 ' CG ' ' C ' ' A' ' 31' ' ' LEU . 3.1 m-85 -153.92 144.46 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 7.5 m-20 -52.09 139.09 23.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.63 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.2 t80 -140.55 126.45 19.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -113.2 55.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.568 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.41 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.46 HD13 ' HB3' ' B' ' 126' ' ' PRO . 74.9 mt -67.16 -56.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.653 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -78.28 -170.88 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.566 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -85.44 -52.94 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.622 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 2.9 pt-20 -89.68 68.43 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.117 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -151.94 148.27 27.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 13.3 tp -89.35 155.96 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 5.9 m -110.96 137.82 48.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 18.3 p90 -148.22 -172.38 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 48.7 mt-30 -129.42 158.86 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 13.5 tmtt? -65.06 101.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.13 -1.4 9.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.92 150.13 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.51 138.69 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.6 mtm -131.23 147.63 52.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.475 HG21 ' CD1' ' A' ' 65' ' ' LEU . 18.2 t -94.07 93.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.94 114.71 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.45 ' CD2' HG11 ' A' ' 51' ' ' VAL . 7.7 mt -96.43 -55.09 3.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -116.47 133.96 55.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.506 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.7 tm-20 -138.37 78.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.34 58.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.93 -143.59 14.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.97 -55.71 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.715 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 18.6 m95 -78.41 134.93 37.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 4.2 m0 -122.44 153.48 39.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -94.21 98.42 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.68 162.15 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 2.7 tmm_? -109.9 124.47 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -58.52 134.12 56.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.475 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.2 mp -90.07 22.38 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.71 -37.52 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -123.77 -1.76 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.43 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.5 OUTLIER 61.68 17.26 8.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 23.0 mtpt -64.96 177.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 31.9 mt-10 -147.62 121.95 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . -175.18 160.76 29.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.9 m-85 -65.98 142.64 57.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -136.73 152.07 73.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 128.52 11.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.549 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 1.9 t -72.93 -26.01 61.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.511 ' HB3' ' CD1' ' B' ' 125' ' ' LEU . 15.6 p-10 -74.79 -1.36 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.648 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -119.11 15.28 13.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.409 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 10.1 m -140.49 166.96 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.423 ' HB1' ' CD2' ' A' ' 31' ' ' LEU . . . -151.79 110.33 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -37.37 138.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.41 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.2 12.18 12.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -119.84 28.49 8.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.7 mt -100.68 164.68 11.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.76 121.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.419 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.496 ' H2 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 3.0 m170 -174.99 134.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.621 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 58.3 p -99.54 86.27 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -103.24 -36.94 7.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -112.34 153.16 44.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo -75.02 48.14 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.511 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 18.2 mt 57.88 157.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.715 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.472 HD22 ' O ' ' A' ' 76' ' ' ASN . 13.1 mt -48.95 129.63 14.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.648 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -74.94 -26.68 10.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' B' ' 129' ' ' PRO . 1.4 t 84.78 -57.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 4.4 pp -74.57 -45.75 43.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.97 22.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.812 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -167.4 151.72 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.54 167.03 11.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -168.64 101.85 0.52 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 160.46 40.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.61 86.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.43 20.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.821 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.13 95.6 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.0 t -55.74 114.8 2.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.07 162.32 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 t30 174.46 150.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -151.61 145.19 24.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.572 1.17 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -179.86 148.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.8 p -41.87 158.32 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -50.13 -75.08 0.22 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.549 1.156 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 17' ' ' GLY . 11.1 mt 60.77 147.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.31 123.17 10.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.6 170.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 63.57 137.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.7 57.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.66 -171.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 67.03 93.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.351 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -164.05 99.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm -81.66 101.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.463 ' CD1' HG21 ' A' ' 51' ' ' VAL . 4.9 mm -90.67 130.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.1 m -136.15 134.18 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -93.43 135.76 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -65.21 119.12 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 66.2 mt -75.35 -16.11 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.67 ' CE2' ' CD1' ' B' ' 128' ' ' LEU . 1.6 m-85 -159.54 149.36 18.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 2.6 m-20 -58.72 140.61 54.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.4 t80 -141.2 132.82 27.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -122.75 57.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.18 82.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.473 HD12 ' HB3' ' B' ' 126' ' ' PRO . 93.8 mt -59.0 -51.39 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.608 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.9 p-80 -116.52 167.43 11.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.5 167.3 3.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 54.47 53.31 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -156.93 146.03 20.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 109.272 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 11.5 tp -92.39 152.54 19.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 p -106.83 137.13 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.6 p90 -145.95 -172.64 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 78.7 mt-30 -129.0 158.22 39.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 2.1 tttt -63.69 103.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.06 1.71 12.75 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.88 135.97 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 0.728 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -100.95 136.49 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.3 mtm -127.59 149.81 50.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.463 HG21 ' CD1' ' A' ' 27' ' ' ILE . 66.3 t -94.62 93.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 6.5 t -60.73 118.64 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 14.0 mt -99.45 -53.5 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 24.2 mm-40 -118.31 143.15 46.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.6 OUTLIER -134.5 88.52 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.2 p -59.39 -67.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.054 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.39 -60.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 51.7 mm-40 -108.03 -63.9 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.608 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 27.4 m95 -79.78 135.98 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.3 m0 -120.74 151.34 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 108.044 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.1 tttt -94.23 97.33 10.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -115.41 160.28 20.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -108.74 124.06 49.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.81 128.2 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.4 mt -85.75 15.51 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.34 -32.9 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 31.2 p -128.93 11.22 6.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.439 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 2.7 ptp180 45.98 27.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 25.1 mttm -70.57 179.11 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -150.81 123.62 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.89 168.69 39.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.4 m-85 -74.74 138.38 42.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 0.743 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.41 151.18 76.98 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.4 ' HG2' ' HB2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -74.9 140.26 25.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.568 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -82.03 -31.65 30.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.517 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 33.1 p-10 -67.85 -8.56 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.507 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -112.39 8.26 19.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.911 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -132.58 167.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -154.23 110.77 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -39.14 137.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -33.22 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.87 12.76 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -119.98 27.15 8.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 mt -99.51 156.54 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.67 99.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.518 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.31 -49.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.62 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.66 67.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -28.5 9.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.52 149.23 41.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo -75.03 52.97 3.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 111.04 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.488 ' CD1' ' HB3' ' A' ' 76' ' ' ASN . 20.5 mt 59.08 151.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.99 165.83 30.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 116.96 4.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.2 mm? -56.92 133.36 79.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.507 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.02 -33.37 4.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.406 ' C ' ' CD2' ' B' ' 131' ' ' LEU . 9.9 t 61.98 54.0 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . 0.406 ' CD2' ' C ' ' B' ' 130' ' ' SER . 0.9 OUTLIER 40.65 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -51.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.0 mp 66.48 154.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.91 132.32 2.2 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 111.088 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -131.36 140.75 39.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.25 93.21 0.09 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -178.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -56.14 -56.95 14.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m 62.82 127.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -153.74 148.06 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 174.71 154.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.3 p -173.34 137.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.014 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -178.67 152.37 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 11.5 p -79.82 136.82 54.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.355 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.6 Cg_endo -75.01 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.58 74.87 1.89 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.3 mt -81.73 144.06 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.97 122.6 18.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.52 163.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 64.9 132.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.03 56.9 0.09 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.11 -46.87 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.397 0.704 . . . . 0.0 110.045 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -177.9 99.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -142.15 100.36 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.423 HD13 ' NE ' ' A' ' 80' ' ' ARG . 3.6 mm -95.74 93.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 51' ' ' VAL . 13.0 mm -78.64 124.46 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.3 m -133.18 127.92 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.71 135.56 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.535 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -64.81 122.06 16.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.8 mt -76.06 -36.03 59.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.678 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.8 m-85 -137.46 158.29 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.05 135.48 55.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.593 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.7 t80 -133.63 131.26 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -121.15 57.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 37.16 88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.7 mt -66.8 -51.17 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.4 1.063 . . . . 0.0 109.337 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.644 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -83.42 -150.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.632 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -106.45 -60.64 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.621 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 0.7 OUTLIER -80.05 70.43 6.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -154.48 165.51 36.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.486 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 11.5 tp -107.7 150.76 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.9 p -102.58 144.11 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 23.8 p90 -156.54 177.15 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -121.72 160.0 25.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -60.86 108.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -2.02 22.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.02 134.29 37.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -101.31 128.78 47.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.387 1.054 . . . . 0.0 110.255 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.1 mtm -122.64 151.59 41.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG21 ' CD1' ' A' ' 27' ' ' ILE . 56.6 t -97.51 94.12 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -60.08 114.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.3 mt -96.0 -53.62 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -118.66 139.75 51.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.55 ' CG ' ' CD1' ' A' ' 60' ' ' TRP . 2.7 tm-20 -138.69 77.44 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.4 p -62.9 -60.18 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.14 -112.22 1.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 9.0 mm-40 -78.44 -61.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.649 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 14.4 m95 -71.13 133.75 46.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.582 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 5.1 m0 -121.53 153.74 37.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -94.9 98.42 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.411 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -116.58 159.37 22.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.224 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.6 126.16 52.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.452 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -58.56 131.23 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 20.1 mt -87.46 17.46 4.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.63 -35.21 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 20.3 p -127.94 12.01 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.474 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 1.9 ptp85 46.16 25.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.471 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 15.7 mttm -68.78 176.69 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -148.59 126.74 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.32 166.84 35.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.661 ' CE1' ' H2 ' ' B' ' 119' ' ' ACE . 23.5 m-85 -73.85 138.71 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.43 153.17 79.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.489 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.98 141.12 26.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.582 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -85.07 -24.83 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.984 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.1 p-10 -75.28 -3.32 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.529 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -116.3 11.22 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.413 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.4 m -134.73 169.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -153.95 108.14 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.6 OUTLIER -36.43 137.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -32.25 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.49 12.57 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 t -121.43 26.55 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.8 178.44 5.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.37 -161.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 24.2 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.661 ' H2 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.012 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 2.7 m-70 -175.76 123.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.652 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.17 85.37 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -48.41 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -105.21 151.85 39.67 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo -74.87 55.52 3.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' B' ' 124' ' ' PRO . 20.1 mt 59.22 154.09 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.649 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 163.45 35.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.32 4.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.48 HD21 ' CE2' ' A' ' 32' ' ' TYR . 13.1 mt -55.27 134.68 69.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.678 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo -74.98 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.4 ' O ' ' N ' ' B' ' 132' ' ' NH2 . 0.3 OUTLIER -128.77 58.44 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 19.6 mt 70.01 -64.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . 0.4 ' N ' ' O ' ' B' ' 130' ' ' SER . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 94.49 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -81.01 174.44 11.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.33 143.22 3.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.088 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -168.14 112.55 0.58 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.04 178.6 7.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.32 103.26 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.68 5.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.32 94.05 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.7 m -58.04 135.42 56.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -168.15 134.65 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.596 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.55 135.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 p -175.86 137.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -176.64 136.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.413 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.2 p -77.01 140.45 66.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.03 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -53.58 -58.19 13.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.427 1.079 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLY . 7.5 mt 60.9 148.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -40.47 147.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -58.88 170.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.383 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.43 144.08 48.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.25 62.79 3.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.41 1.069 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -173.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.436 0.727 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 68.16 100.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -158.52 98.91 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.2 mm -83.21 94.33 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.471 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.6 mm -82.45 129.62 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.6 m -136.0 128.85 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.7 p -88.36 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.516 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -68.78 121.81 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 19.0 mt -77.6 -35.3 52.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.576 ' CE2' ' CD2' ' B' ' 128' ' ' LEU . 2.2 m-85 -137.19 151.5 48.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.96 138.28 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.4 t80 -137.38 134.86 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.1 mt-10 -126.81 58.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.501 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.6 87.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.452 HD13 ' HB3' ' B' ' 126' ' ' PRO . 87.3 mt -67.38 -51.9 47.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.635 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -115.35 153.24 31.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.651 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.15 166.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.28 51.6 11.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -154.23 151.37 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.482 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 10.5 tp -97.21 154.22 17.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.5 p -107.83 137.13 46.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -148.62 -178.91 6.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 75.1 mt-30 -123.56 160.57 26.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 3.2 tttt -62.02 108.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.0 0.7 24.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.59 136.33 36.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' NE2' HG21 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -102.0 132.41 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.6 mtm -127.46 149.47 50.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.901 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.471 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.0 t -96.54 95.0 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 13.0 t -59.86 123.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.9 mt -106.3 -53.56 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -115.85 132.9 56.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.1 tm-20 -136.77 77.36 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -53.64 7.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.444 ' O ' ' NE1' ' A' ' 60' ' ' TRP . . . -123.84 -132.27 3.89 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -73.5 -47.79 38.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.31 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.714 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 28.2 m95 -79.91 132.85 36.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 107.969 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.579 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.8 m0 -121.71 151.2 40.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -92.77 98.51 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.52 157.22 26.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 4.2 tmm_? -106.43 125.11 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 13.3 t -57.73 132.67 53.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 mt -88.39 18.6 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.84 -36.21 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 10.1 p -127.81 12.01 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.3 OUTLIER 46.53 26.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.475 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 56.1 mttt -69.2 176.77 3.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -148.0 124.62 11.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.88 162.8 29.55 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.597 ' CE1' ' H1 ' ' B' ' 119' ' ' ACE . 20.5 m-85 -69.8 138.52 52.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.79 151.92 77.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 140.84 25.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.579 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 1.0 OUTLIER -84.87 -26.65 27.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.432 ' O ' HD22 ' B' ' 128' ' ' LEU . 28.0 p-10 -73.35 -5.81 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.562 ' CE1' HD21 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -113.14 2.58 15.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.9 m -125.17 169.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -153.03 109.13 3.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -37.56 137.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.35 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.05 12.02 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t -120.4 28.29 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.05 148.7 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.13 100.12 4.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.597 ' H1 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 4.3 m-70 -176.58 131.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.564 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.23 67.5 4.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -54.41 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -110.41 168.01 8.24 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo -74.93 54.02 3.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.4 ' O ' ' O ' ' B' ' 124' ' ' PRO . 28.2 mt 60.53 149.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.714 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 166.32 29.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 119.67 5.76 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.576 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -63.76 133.97 95.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.551 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.1 -22.65 14.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.05 78.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -68.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.348 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 179.73 5.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 27.5 mt -147.31 178.64 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.22 164.58 14.19 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -112.37 134.49 21.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.784 . . . . 0.0 109.984 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.62 7.03 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.518 1.799 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.84 88.99 1.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -178.63 4.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.524 1.802 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -95.83 107.33 19.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.213 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -173.44 148.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 110.05 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -160.39 171.51 18.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.637 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.96 156.73 48.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.5 p 178.11 137.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.35 138.74 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.436 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 81.2 p -40.15 134.24 1.47 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.44 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.23 76.84 0.46 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.61 1.194 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.8 mt -79.46 143.22 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.206 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -72.36 160.22 32.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -170.29 160.11 7.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.65 116.17 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.25 -61.79 4.74 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.24 -57.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -145.92 83.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -157.95 97.01 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm -80.08 98.14 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 109.197 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.466 ' CD1' HG22 ' A' ' 51' ' ' VAL . 7.2 mm -87.76 127.86 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.9 m -134.79 127.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -87.09 134.57 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.461 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -63.9 121.72 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 77' ' ' TYR . 30.1 mt -76.23 -23.78 54.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.3 m-85 -152.09 150.78 30.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.44 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 28.8 p-10 -56.78 143.64 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.1 t80 -144.7 130.27 18.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -122.79 59.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.458 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.0 85.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.401 HD13 ' HB3' ' B' ' 126' ' ' PRO . 85.4 mt -62.72 -52.88 54.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.636 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -108.88 -170.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.578 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.507 ' O ' ' C ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -74.43 -178.29 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.585 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 5.0 pt-20 29.08 64.11 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.2 137.56 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.432 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.1 tp -86.66 152.72 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -108.27 138.08 45.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.635 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.3 p90 -145.26 -171.78 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 50.2 mt-30 -130.31 155.08 46.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.1 tmtt? -62.22 102.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.31 -1.52 10.53 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.47 144.62 28.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -106.94 138.3 43.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.9 mtm -129.84 150.26 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.9 t -95.7 94.17 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.456 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 5.9 t -61.5 126.87 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.9 mt -108.36 -50.45 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.53 -174.08 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.427 ' HA ' ' CD1' ' A' ' 60' ' ' TRP . 13.7 tt0 174.94 76.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 t -65.39 -56.77 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 109.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.06 -64.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.588 1.18 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -112.77 -65.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.636 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 22.0 m95 -70.12 133.57 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.571 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.7 m0 -124.09 152.37 42.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.572 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 6.2 tttt -93.38 96.68 10.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -114.22 160.89 18.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HB2' ' CG ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -110.62 122.75 48.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.45 128.31 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.23 31.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.68 -42.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.5 p -121.4 -4.4 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 68.49 22.76 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . 20.1 mttt -74.27 138.98 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.431 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 13.8 mt-10 -111.74 134.04 53.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 173.25 162.05 24.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.585 1.178 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.1 m-85 -68.05 146.23 53.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -141.64 152.29 62.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.536 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.93 134.78 18.37 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.45 1.763 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.571 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -79.05 -28.38 43.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.46 ' CG ' HD23 ' B' ' 125' ' ' LEU . 26.1 p-10 -72.45 -5.79 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -113.29 10.5 18.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.6 m -134.41 169.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -153.83 110.64 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.429 ' CZ ' ' CD1' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -38.43 137.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.83 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -86.92 11.53 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -120.02 29.32 7.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.1 mt -101.5 129.71 47.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.2 100.14 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 110.413 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.475 ' H1 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.566 ' NE2' ' CG ' ' A' ' 59' ' ' TRP . 1.6 p-80 -140.39 173.46 11.48 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.092 . . . . 0.0 109.594 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 8.9 m -157.79 43.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.046 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . 0.55 ' CE ' ' CG ' ' B' ' 120' ' ' HIS . 0.2 OUTLIER -77.98 -38.49 44.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 24.0 m-85 -104.77 142.91 25.62 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.13 55.12 3.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.46 HD23 ' CG ' ' A' ' 76' ' ' ASN . 23.2 mt 60.8 153.53 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.518 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.99 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.0 mt -54.4 134.06 62.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.08 -55.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.52 137.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.051 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -138.92 97.4 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 103.51 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.0 mt -100.27 175.63 5.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.37 134.72 1.76 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.606 1.191 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.61 99.64 5.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 175.0 11.82 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.22 92.34 0.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.04 17.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -85.5 107.09 17.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.361 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 t -40.26 146.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -139.91 124.26 17.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.576 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -179.04 117.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.7 p -166.69 133.89 2.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.89 153.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 29.6 p -89.79 150.13 43.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.433 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.26 76.32 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.4 mt -62.85 135.81 26.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 0.733 . . . . 0.0 109.325 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -71.81 -179.36 2.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -123.51 163.53 20.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.52 155.28 38.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.4 -69.82 0.3 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -63.19 165.05 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 39.48 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -164.04 102.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.1 mm -84.17 95.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.417 HG22 ' NE2' ' A' ' 49' ' ' GLN . 10.2 mm -84.06 127.13 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 26.8 m -134.19 132.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.9 p -91.72 136.71 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -67.58 116.91 8.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.457 ' C ' ' CG ' ' A' ' 32' ' ' TYR . 59.6 mt -73.2 -23.12 60.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.798 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.1 m-85 -152.46 148.54 27.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.435 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 34.3 p-10 -55.93 146.98 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.622 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.3 t80 -149.05 124.73 10.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -113.14 55.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.554 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.66 86.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.441 HG13 ' CE1' ' A' ' 34' ' ' TYR . 80.3 mt -59.0 -47.39 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.498 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -94.79 -160.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.594 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -92.66 -56.9 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.555 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.7 76.97 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -167.55 152.95 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 13.3 tp -96.36 151.0 19.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 p -105.16 139.8 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.0 p90 -147.3 -171.36 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 65.7 mt-30 -129.94 157.67 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.231 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.435 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -64.87 101.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.27 5.91 9.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 147.45 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.373 0.69 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.417 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.1 mt-30 -108.8 137.46 46.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.253 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.432 ' HE2' ' CG ' ' A' ' 44' ' ' PHE . 9.8 mtm -130.79 148.61 52.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.431 ' CG2' HD12 ' A' ' 65' ' ' LEU . 56.1 t -95.15 95.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.407 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 4.7 t -61.94 122.13 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.27 -52.04 3.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -117.59 139.45 50.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.528 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -133.97 70.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -50.59 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.74 -84.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.7 mm-40 -95.35 -66.74 0.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 0.784 . . . . 0.0 110.233 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.575 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 38.7 m95 -69.98 130.24 41.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 9.8 m0 -117.85 152.94 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 107.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.5 tttm -98.01 97.1 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.407 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -115.08 168.13 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 2.1 tmm_? -116.63 123.77 48.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 8.8 t -54.63 133.11 46.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.431 HD12 ' CG2' ' A' ' 51' ' ' VAL . 10.8 mp -90.78 23.65 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.4 -39.31 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 p -122.04 -4.12 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.412 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.427 ' HA ' ' O ' ' A' ' 64' ' ' SER . 4.4 mmm180 64.97 21.32 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.436 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 14.7 mttt -70.08 178.06 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.436 ' HB3' ' NZ ' ' A' ' 61' ' ' LYS . 19.0 mt-10 -145.19 147.87 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . 159.85 165.14 16.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 1.151 ' CD1' ' H2 ' ' B' ' 119' ' ' ACE . 20.1 m-85 -72.74 139.42 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pt -133.41 151.57 77.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.543 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.01 130.7 13.5 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.532 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 4.1 t -75.44 -26.35 58.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.575 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 18.4 p-10 -72.98 -5.76 40.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.677 ' OH ' ' HD3' ' B' ' 129' ' ' PRO . 0.7 OUTLIER -114.58 6.18 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.4 m -126.72 171.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.413 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -158.43 110.05 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.521 ' CZ ' ' CD1' ' A' ' 26' ' ' ILE . 0.2 OUTLIER -38.1 138.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -32.43 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.11 11.83 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -118.22 29.11 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.6 mt -101.83 141.21 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.72 79.99 1.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 1.151 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.024 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 3.9 m170 -174.83 125.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.579 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 97.3 p -97.71 71.43 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -100.85 -32.3 10.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -116.09 154.64 48.55 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 137.29 21.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.575 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 13.8 mt -40.39 154.99 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.575 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.02 163.36 35.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.76 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 117.9 5.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.798 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -56.91 130.93 79.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.677 ' HD3' ' OH ' ' A' ' 77' ' ' TYR . 18.5 Cg_endo -74.95 -28.78 8.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 26.1 m 58.93 114.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.1 pp -80.5 -19.4 45.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.86 6.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.625 1.855 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.9 mt -140.11 175.78 9.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.86 -164.1 22.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.9 93.51 4.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.743 . . . . 0.0 109.91 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.66 41.13 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.4 97.27 0.14 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 168.29 25.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.491 ' ND2' ' N ' ' A' ' 10' ' ' SER . 1.5 p-10 -60.32 -52.46 65.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.491 ' N ' ' ND2' ' A' ' 9' ' ' ASN . 37.6 p 49.88 -175.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.66 -170.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.637 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -160.15 118.42 2.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.9 p -142.17 145.62 34.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t30 178.35 145.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 p -72.57 151.93 91.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.489 1.783 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.49 82.26 0.7 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -89.74 136.28 24.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 179.56 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -110.64 146.85 35.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.17 125.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -124.96 57.02 0.69 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -38.82 -52.47 1.73 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.756 . . . . 0.0 110.025 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -172.35 98.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -155.09 99.52 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 3.9 mm -88.48 96.25 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.473 ' CD1' HG22 ' A' ' 51' ' ' VAL . 14.0 mm -81.25 122.61 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -129.43 129.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -89.22 142.98 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.236 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.538 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -74.76 114.61 13.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.449 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 40.7 mt -70.78 -37.4 73.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.503 ' CE2' ' CD2' ' B' ' 128' ' ' LEU . 1.5 m-85 -133.8 158.5 43.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.46 138.62 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.6 t80 -137.68 134.78 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.98 56.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.543 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.05 88.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.425 HD11 ' HB3' ' B' ' 126' ' ' PRO . 71.3 mt -67.77 -43.74 86.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.633 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -89.08 -158.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -101.15 -49.76 4.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.78 66.58 7.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.414 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -151.68 165.07 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 11.2 tp -107.19 152.77 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.0 p -105.47 143.45 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.0 p90 -155.69 176.61 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 79.8 mt-30 -120.43 155.29 33.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 4.5 tttt -56.2 109.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.12 -2.14 24.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.48 136.13 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.3 mm-40 -104.28 127.5 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mtm -122.08 151.06 41.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.473 HG22 ' CD1' ' A' ' 27' ' ' ILE . 53.0 t -95.85 94.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.2 t -60.27 119.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.5 mt -102.42 -52.83 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -116.88 133.45 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.513 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -128.59 67.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.63 -58.68 5.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.054 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.34 -98.45 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.64 -68.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.749 . . . . 0.0 110.219 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.654 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 17.0 m95 -70.71 134.88 47.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.544 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.5 m0 -121.93 150.86 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.3 tttt -93.35 97.16 10.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -116.35 159.37 22.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -108.51 126.39 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.451 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 2.3 t -57.84 132.32 53.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 19.4 mt -88.08 19.15 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.22 -38.81 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 24.0 p -124.17 12.26 8.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' THR . 19.8 ptt-85 46.43 24.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.459 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . 61.4 mttt -66.94 176.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 -149.25 128.72 13.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.13 169.6 38.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.0 m-85 -77.25 131.6 38.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -125.55 151.65 70.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.493 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.99 139.44 24.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.544 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 1.8 t -85.34 -24.14 27.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 110.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 27.6 p-10 -74.12 -8.91 57.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.528 ' CE1' HD22 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -108.85 -15.35 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.443 ' CG2' ' HA ' ' A' ' 75' ' ' SER . 4.2 m -102.97 174.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -159.61 107.75 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.442 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -36.0 139.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.24 55.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -87.04 11.96 12.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 t -119.51 28.64 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.52 133.8 46.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 52.91 82.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.531 ' H3 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.82 123.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.537 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 88.0 p -103.22 71.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -51.1 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.49 151.21 37.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 53.23 3.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.444 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 17.4 mt 59.65 154.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.654 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.06 164.03 34.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.528 HD22 ' CE1' ' A' ' 77' ' ' TYR . 14.0 mt -62.96 133.16 95.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.454 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.08 -23.8 13.31 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.28 50.14 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -164.29 129.82 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.421 1.075 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 148.51 34.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mp -120.83 148.56 43.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.59 153.29 5.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.96 130.51 3.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.559 0.799 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.6 7.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.14 85.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -178.76 4.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.63 95.99 4.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 m -57.09 143.45 38.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.083 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.65 142.01 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -164.52 155.29 14.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.45 155.96 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 179.18 165.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.4 p -64.82 158.72 67.92 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 85.48 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.7 mm -105.28 133.85 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -42.93 118.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -150.24 161.63 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 45.03 84.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.22 -61.25 0.98 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.03 179.08 8.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 39.58 85.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -166.2 98.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm -78.86 95.81 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.6 mm -85.37 128.56 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.9 m -135.12 131.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.167 . . . . 0.0 109.324 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.0 p -90.17 136.24 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.543 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -67.11 116.47 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.4 mt -69.13 -39.7 78.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.74 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.4 m-85 -131.78 164.3 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -71.47 137.8 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.523 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 58.1 t80 -136.26 133.38 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -126.78 60.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . 39.13 88.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.456 HD11 ' HB3' ' B' ' 126' ' ' PRO . 96.8 mt -69.29 -57.44 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.64 ' NE2' ' CZ2' ' A' ' 59' ' ' TRP . 1.2 p-80 -113.38 152.93 29.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.51 168.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 52.17 54.38 10.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.1 m-20 -154.92 147.16 23.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.252 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.485 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.4 tp -93.9 151.45 19.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -105.42 141.71 36.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.543 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 22.7 p90 -153.83 -179.38 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 94.1 mt-30 -125.16 155.47 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -56.99 110.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.65 -2.38 24.7 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 134.83 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.79 134.23 42.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.6 mtm -129.28 147.96 51.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.401 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 54.2 t -93.35 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.82 118.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 9.1 mt -98.59 -53.36 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -115.52 142.08 47.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 2.0 tt0 -134.55 70.89 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 -62.77 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.81 -69.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.552 1.157 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.9 OUTLIER -108.77 -70.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.79 . . . . 0.0 110.275 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.64 ' CZ2' ' NE2' ' A' ' 38' ' ' HIS . 67.3 m95 -67.85 115.21 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.573 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 11.7 m0 -103.22 151.26 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.61 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 12.0 tttm -96.31 99.45 11.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.401 ' HA ' ' O ' ' A' ' 51' ' ' VAL . . . -118.06 167.55 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -118.52 123.24 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 48.0 t -51.77 130.58 29.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.96 21.21 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.51 -38.25 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 p -121.58 0.89 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 64' ' ' SER . 5.9 mtt-85 58.2 21.16 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.478 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 24.4 mttt -67.26 177.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' N ' HD12 ' A' ' 42' ' ' LEU . 18.3 mt-10 -146.36 140.84 26.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.66 165.46 23.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.431 1.082 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.61 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.2 m-85 -75.17 131.83 40.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -124.75 151.97 68.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.412 ' HG3' ' HG3' ' B' ' 126' ' ' PRO . 18.4 Cg_endo -75.06 136.62 20.52 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.567 1.825 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.573 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.0 OUTLIER -80.02 -29.06 39.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.503 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 27.7 p-10 -72.15 -4.32 28.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.463 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -114.62 5.98 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.8 m -128.6 170.32 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -156.23 109.71 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -37.66 138.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -33.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -86.78 10.65 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -117.23 28.67 8.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.46 156.98 17.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.25 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -107.18 100.11 9.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 14.6 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 110.411 179.971 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.566 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 15.1 m170 -163.92 -50.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p 72.17 48.71 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -81.32 -39.04 25.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -107.27 150.21 39.69 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.17 3.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.503 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 22.6 mt 61.57 155.44 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.475 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.95 165.7 30.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.604 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 17.8 mt -59.42 134.68 88.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.74 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo -75.02 -164.28 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 22.7 m -120.26 -39.47 2.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.949 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 53.3 mt 73.69 -67.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.94 5.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 0.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.5 mt -144.91 176.49 9.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.65 -164.42 12.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -148.08 152.8 40.64 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.418 0.717 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.793 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.81 104.09 0.21 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 176.39 9.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.97 94.44 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 109.228 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -48.39 167.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.64 167.85 13.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -134.94 161.44 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -166.53 145.64 5.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -178.63 157.94 1.0 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 p -44.44 161.62 0.22 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.596 1.84 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.56 85.66 0.95 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.45 1.094 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.6 mt -110.82 138.21 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.431 0.724 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -39.38 130.17 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -174.88 169.55 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.58 76.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.17 -64.28 2.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 p 179.19 -161.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.989 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 66.48 102.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -162.96 96.67 0.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . 0.458 HD12 ' CZ ' ' A' ' 80' ' ' ARG . 24.1 mm -83.73 101.28 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 5.6 mm -91.75 129.57 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.0 m -136.22 128.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.4 p -87.52 136.52 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.434 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . . . -67.44 118.27 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -72.96 -34.01 66.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.565 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 3.2 m-85 -137.56 161.68 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.97 141.49 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.545 ' CB ' ' CZ ' ' A' ' 44' ' ' PHE . 68.1 t80 -141.67 127.42 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -118.32 58.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.56 78.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.508 HD12 ' HB3' ' B' ' 126' ' ' PRO . 92.6 mt -54.58 -58.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.582 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -104.75 -171.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.529 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . 0.5 ' CD2' ' CD ' ' A' ' 40' ' ' GLU . 45.4 p-80 -77.67 -174.8 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.62 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER 31.01 49.5 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.224 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.26 141.91 32.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.494 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 11.6 tp -89.45 151.06 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.8 p -106.31 146.25 30.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 34' ' ' TYR . 23.5 p90 -156.37 -177.53 6.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -127.68 161.33 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -62.4 107.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.162 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.54 -2.24 20.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.12 136.23 37.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -102.93 129.98 49.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.4 mtm -125.47 147.99 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 45.9 t -93.97 95.36 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.4 t -61.42 118.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.1 mt -98.59 -54.32 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.1 mm-40 -110.41 153.27 25.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' HG3' ' NE1' ' A' ' 60' ' ' TRP . 24.8 tt0 -146.1 93.44 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -73.84 -62.49 1.48 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.497 1.123 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.8 -70.26 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -104.47 -65.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.366 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.622 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 37.0 m95 -73.84 134.25 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 107.996 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.565 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 13.3 m0 -121.07 153.91 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 107.963 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 8.0 tttm -97.41 97.46 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -116.88 166.17 12.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.493 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 3.0 tmm_? -115.92 125.05 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.359 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.66 131.64 47.0 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 110.054 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.45 HD12 ' N ' ' A' ' 65' ' ' LEU . 11.2 mp -89.85 22.12 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.55 -38.18 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.387 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -124.36 -2.35 8.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 64' ' ' SER . 6.8 mtp180 64.56 21.8 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.493 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 24.3 mttm -64.92 177.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.441 ' HB3' ' NZ ' ' A' ' 61' ' ' LYS . 28.3 mt-10 -149.82 133.5 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 172.07 172.39 37.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.696 ' CD1' ' H3 ' ' B' ' 119' ' ' ACE . 21.5 m-85 -79.29 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.494 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -131.49 152.95 81.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.439 ' HG3' ' HG3' ' B' ' 126' ' ' PRO . 18.1 Cg_endo -75.06 137.94 22.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.565 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 12.1 t -82.5 -26.46 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.575 1.172 . . . . 0.0 109.938 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.445 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 23.6 p-10 -74.06 -3.55 30.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.474 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -115.12 5.74 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 5.3 m -128.79 169.3 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.61 108.73 2.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.458 ' CZ ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -36.4 135.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -32.08 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -86.47 11.26 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 t -119.49 27.96 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.5 mt -99.5 165.14 11.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.67 98.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.437 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.696 ' H3 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.72 123.72 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 94.5 p -101.33 64.36 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.049 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.92 -35.0 17.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -115.41 150.79 45.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 53.33 3.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.403 1.739 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.445 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 14.0 mt 59.52 154.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.08 164.07 33.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.62 6.16 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.529 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -61.81 132.49 93.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.565 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo -74.99 -25.34 11.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.13 84.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.05 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 30.2 mt -93.34 -70.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.202 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.22 8.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.73 140.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.08 165.6 25.37 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.47 1.107 . . . . 0.0 110.978 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -167.98 101.28 0.57 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 110.02 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.35 7.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.95 117.05 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -179.5 5.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.565 1.824 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.05 96.7 4.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 t -51.04 132.11 27.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.56 111.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -175.0 133.52 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -173.28 151.02 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 175.22 137.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.41 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 19.4 p -86.79 142.42 34.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.07 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.51 83.29 0.46 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.2 mt -91.34 140.75 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -41.83 161.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -163.01 161.01 25.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.26 168.41 20.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.3 -49.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.95 -175.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 70.8 103.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -152.07 98.17 2.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mm -83.61 102.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.476 ' CD1' HG22 ' A' ' 51' ' ' VAL . 6.1 mm -87.35 127.09 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.7 m -135.19 124.82 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.4 p -86.58 135.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -61.96 127.69 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.604 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 46.8 mt -84.45 -16.66 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.8 m-85 -160.19 150.88 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.94 136.6 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 68.5 t80 -136.78 143.69 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -133.2 55.88 1.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.572 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 37.76 89.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.568 HD12 ' HB3' ' B' ' 126' ' ' PRO . 81.4 mt -64.67 -47.16 90.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.641 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -81.7 -148.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.609 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -111.33 -42.92 3.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.559 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.24 68.87 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.533 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 4.1 m-20 -154.48 160.64 41.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.4 tp -100.18 152.11 20.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.6 p -106.47 133.64 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.5 p90 -141.79 -170.97 3.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -130.66 160.47 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.309 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -65.53 103.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.38 -1.15 12.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.91 137.26 33.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -101.43 140.13 36.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 12.2 mtm -131.91 147.77 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.497 HG23 ' CD1' ' A' ' 65' ' ' LEU . 11.9 t -93.65 95.23 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 t -61.28 113.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.363 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.441 ' CD2' HG11 ' A' ' 51' ' ' VAL . 11.0 mt -92.59 -55.44 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -115.92 144.51 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.522 ' HG3' ' CD1' ' A' ' 60' ' ' TRP . 15.4 tt0 -139.61 101.91 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -64.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -148.38 -67.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -104.24 -69.13 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.35 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.769 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 23.0 m95 -73.05 134.17 44.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.577 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.4 m0 -122.24 155.25 36.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.588 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 4.1 tttt -96.84 98.95 10.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -117.23 163.48 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.42 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 1.1 tmm_? -110.96 123.73 50.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.436 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 7.3 t -56.45 130.84 46.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.497 ' CD1' HG23 ' A' ' 51' ' ' VAL . 11.1 mp -89.15 21.68 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.63 -37.54 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -121.74 -7.28 9.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.569 1.168 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.436 ' HA ' ' O ' ' A' ' 64' ' ' SER . 0.0 OUTLIER 67.2 20.14 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.42 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 27.8 mttm -68.73 177.21 2.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 122.85 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.35 165.42 36.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.568 1.167 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.922 ' CE1' ' H3 ' ' B' ' 119' ' ' ACE . 24.1 m-85 -71.59 139.18 49.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.98 152.85 78.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 145.22 31.07 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.577 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -86.85 -28.15 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.769 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 30.3 p-10 -71.59 -4.77 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.452 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -115.41 14.47 16.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.2 m -140.03 166.08 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -152.91 107.28 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.428 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.7 OUTLIER -36.41 141.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -34.45 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.69 10.62 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t -118.64 25.47 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 mt -97.3 120.44 37.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -89.65 84.38 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.922 ' H3 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.24 -54.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.594 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t 68.11 62.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.15 -3.55 12.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -133.88 149.61 72.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo -74.98 49.29 2.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 124' ' ' PRO . 14.4 mt 57.72 156.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.769 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -74.99 166.85 28.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.769 ' CD2' ' ND2' ' A' ' 76' ' ' ASN . 1.8 mm? -64.78 131.52 95.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.452 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.0 -27.55 9.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.594 1.839 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.07 111.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.03 95.66 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.2 16.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.62 161.0 40.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.31 179.24 47.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.49 98.64 2.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.13 16.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.11 87.02 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 177.86 8.04 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -121.74 97.02 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.6 p -178.34 115.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.89 175.86 9.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.56 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -93.71 126.44 38.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -162.57 150.85 14.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -164.32 153.02 13.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.4 p -87.08 160.55 48.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.351 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.99 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.526 1.803 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -36.81 -84.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.8 mt 60.34 155.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.77 . . . . 0.0 109.213 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -116.86 160.23 21.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.09 172.83 10.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.75 124.15 26.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.61 -61.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -86.95 -178.42 6.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 0.743 . . . . 0.0 109.97 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' SER . 7.0 pt-20 37.4 84.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -158.3 99.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.3 mm -83.38 99.52 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 7.9 mm -86.67 125.02 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.5 m -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.41 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 4.3 p -92.54 134.24 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.24 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.428 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . . . -62.86 121.06 12.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 25.0 mt -74.78 -30.72 61.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.574 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.5 m-85 -141.56 165.03 28.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.16 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 45.6 t80 -139.62 138.86 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -125.87 54.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.97 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.426 HG13 ' CE1' ' A' ' 34' ' ' TYR . 71.7 mt -72.11 -34.68 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.618 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.3 m-70 -91.07 -159.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -102.99 -51.77 3.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.585 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -87.45 34.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.519 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 6.0 m-20 -113.39 165.4 12.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.495 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.1 tp -109.38 154.92 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.4 p -109.07 134.83 51.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.2 p90 -147.72 178.52 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.414 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 62.0 mt-30 -123.13 154.36 38.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -56.48 108.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.34 17.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -75.23 141.34 43.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -107.11 131.79 53.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 14.4 mtm -126.05 146.21 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.411 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 42.3 t -91.62 94.5 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.419 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 3.3 t -61.92 115.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.2 mt -95.67 -53.42 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 15.2 mm-40 -116.49 142.0 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -133.55 66.41 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -45.13 -66.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.79 -87.45 0.09 OUTLIER Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.424 1.078 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.78 -65.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.618 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 22.7 m95 -72.54 132.94 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 107.944 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.562 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 8.6 m0 -117.75 151.15 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.2 tttt -94.72 97.73 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.419 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -116.9 159.24 22.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 2.6 tmm_? -108.95 123.06 48.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.437 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -54.37 131.92 43.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.433 ' N ' HD13 ' A' ' 65' ' ' LEU . 10.9 mp -89.39 21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.21 -37.77 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.4 ' CB ' ' HD2' ' A' ' 69' ' ' LYS . 3.4 p -121.24 -5.53 9.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HA ' ' O ' ' A' ' 64' ' ' SER . 1.8 mtt85 63.92 21.42 12.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.284 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.447 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 18.1 mttt -70.84 179.33 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 21.2 mt-10 -147.6 128.43 14.37 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.12 159.28 24.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 27.7 m-85 -69.63 129.21 39.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -121.78 152.66 59.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.502 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.91 132.7 15.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.562 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 11.0 t -77.28 -25.04 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.6 p-10 -76.81 0.0 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CZ ' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -119.64 11.09 11.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.5 m -134.17 170.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.378 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -156.07 108.93 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.3 OUTLIER -36.36 141.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -31.74 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.08 10.55 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m -120.22 28.76 7.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.1 mt -98.05 150.26 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -141.8 126.04 17.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.1 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.353 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.533 ' H3 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -169.77 120.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.556 . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 51.6 p -102.82 66.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.84 -46.81 8.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -104.32 150.67 38.67 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 54.36 3.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . . . . . . . . . 17.9 mt 59.55 154.7 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.596 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.07 164.27 33.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.569 1.826 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.59 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.554 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -57.77 134.29 82.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.0 -59.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 8.4 t -175.99 132.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -133.29 160.49 37.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 109.385 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -50.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mp 63.81 107.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.85 168.39 21.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -121.15 146.17 43.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 171.17 18.82 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.43 100.98 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.5 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.2 98.52 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -53.58 143.54 19.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -158.37 140.0 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.582 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -175.34 113.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.96 152.14 51.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -168.61 169.38 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 p -107.21 154.43 40.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 110.36 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -45.58 -77.1 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.437 HG21 ' N ' ' A' ' 19' ' ' ARG . 33.8 mt 61.59 140.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.352 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.437 ' N ' HG21 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -147.14 170.53 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -148.71 163.86 36.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.94 130.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.67 -49.48 2.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 73.75 98.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -159.67 95.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 mm -78.05 99.18 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.478 ' CD1' HG23 ' A' ' 51' ' ' VAL . 6.3 mm -86.3 125.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.06 128.49 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.364 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -89.07 137.44 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.406 ' HB1' ' O ' ' A' ' 45' ' ' GLN . . . -66.56 122.43 17.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.61 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 55.1 mt -79.31 -17.1 55.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.1 m-85 -158.65 146.68 18.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 149.93 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.625 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 67.7 t80 -152.3 127.69 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -120.89 59.5 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.13 86.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.76 -52.76 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.628 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -114.29 162.08 17.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.642 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -57.18 163.92 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.31 57.66 4.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -159.17 154.92 26.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.478 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 10.5 tp -101.31 155.24 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.3 p -108.33 137.96 45.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.054 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.8 p90 -146.73 -171.53 3.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.406 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 37.3 mt-30 -130.04 157.57 42.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -64.88 102.18 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.91 10.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.37 148.18 29.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -110.53 135.16 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.0 mtm -128.11 148.25 50.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.618 1.199 . . . . 0.0 110.94 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.478 HG23 ' CD1' ' A' ' 27' ' ' ILE . 32.6 t -93.97 95.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.6 t -60.5 119.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.209 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 51' ' ' VAL . 9.2 mt -102.05 -51.53 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -102.02 -175.82 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.557 ' OE1' ' CE2' ' A' ' 60' ' ' TRP . 11.8 tt0 -179.22 66.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -53.65 -61.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -148.66 -71.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -105.31 -64.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.628 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 13.3 m95 -72.06 136.94 46.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 108.095 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.557 ' CE2' ' OE1' ' A' ' 55' ' ' GLU . 5.5 m0 -123.47 154.33 39.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.92 96.89 9.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -113.59 165.17 12.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.457 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -114.42 125.79 54.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.445 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -60.21 132.64 54.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.47 ' CD1' HG21 ' A' ' 51' ' ' VAL . 10.8 mp -88.11 17.41 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.33 -32.61 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 15.0 p -132.07 12.56 4.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.42 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 10.4 ptp180 46.46 24.45 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.457 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 52.9 mttt -67.38 176.25 2.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.403 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 45.9 mt-10 -149.54 126.23 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.49 165.22 32.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.0 m-85 -70.35 139.8 52.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.32 152.23 77.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 126.19 9.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.526 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 1.4 t -72.12 -25.88 61.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.443 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 19.1 p-10 -73.73 -6.44 46.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.474 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.7 OUTLIER -113.05 9.23 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.6 m -132.18 171.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 31' ' ' LEU . . . -156.83 111.49 2.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -38.75 141.33 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.06 -28.01 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.54 8.82 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.42 20.42 8.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.8 mt -85.28 164.99 17.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.59 123.71 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.471 ' H3 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -175.2 121.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.593 . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 91.3 p -99.68 88.45 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -109.07 -54.06 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -97.25 152.32 38.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.0 Cg_endo -74.99 53.1 3.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.443 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 22.7 mt 59.33 153.71 0.09 OUTLIER Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.88 165.31 31.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 111.033 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.403 ' HA ' ' HD3' ' B' ' 129' ' ' PRO . 12.6 mt -58.44 131.31 84.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.474 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -75.07 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 61.0 p -115.31 87.28 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.043 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 5.7 mp -143.22 139.15 30.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.39 18.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 mt -145.5 153.45 41.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.52 168.27 30.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -160.69 98.1 1.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.944 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.26 33.77 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.05 104.23 0.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.59 35.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.822 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -44.06 -52.36 7.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.3 m 60.8 94.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.05 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -120.21 86.42 2.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.625 1.203 . . . . 0.0 109.618 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.17 114.37 28.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.1 p -136.2 141.98 44.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -154.74 173.17 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.4 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -116.13 138.99 24.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.05 74.27 1.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.6 mt -78.3 136.64 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -73.01 -179.15 3.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.55 171.52 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.238 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.92 132.87 52.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.68 -56.51 0.48 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.574 1.171 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.09 -40.86 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 0.732 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -158.59 89.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -166.44 101.08 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm -83.32 95.52 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.47 ' CD1' HG21 ' A' ' 51' ' ' VAL . 8.2 mm -84.6 128.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.6 m -135.39 131.18 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.2 p -91.26 136.91 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.444 ' HB2' ' O ' ' A' ' 45' ' ' GLN . . . -65.17 123.65 20.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 60.9 mt -80.71 -15.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.5 m-85 -159.01 151.02 20.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.14 143.24 44.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 78.1 t80 -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -117.32 60.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.483 ' N ' ' OG ' ' A' ' 43' ' ' SER . . . 37.63 88.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.43 HD11 ' HB3' ' B' ' 126' ' ' PRO . 70.5 mt -67.13 -57.14 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.395 1.059 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.639 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -112.26 159.58 18.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -56.16 165.27 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.569 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 57.7 56.47 4.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -158.67 154.96 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.488 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.2 tp -100.6 149.6 23.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.1 m -103.08 142.09 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 17.4 p90 -152.33 -175.07 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.444 ' O ' ' HB2' ' A' ' 30' ' ' ALA . 71.3 mt-30 -127.67 156.58 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -62.26 102.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.3 -1.34 9.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.76 147.36 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.432 ' NE2' HG22 ' A' ' 27' ' ' ILE . 0.8 OUTLIER -109.36 142.07 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 10.6 mtm -134.36 147.5 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 111.09 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.47 HG21 ' CD1' ' A' ' 27' ' ' ILE . 46.5 t -94.82 94.85 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.414 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 6.6 t -60.27 118.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 8.7 mt -99.73 -53.48 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -118.01 138.92 51.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.521 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -135.16 76.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.418 ' HB3' ' C ' ' B' ' 119' ' ' ACE . 24.3 t -61.31 -59.63 5.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.097 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -137.16 -102.24 0.61 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -87.58 -59.33 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 27.7 m95 -73.74 123.98 25.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.7 m0 -112.91 155.72 24.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.548 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -97.86 97.46 8.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.414 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -117.42 161.98 18.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 2.9 tmm_? -109.36 130.48 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.438 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 3.5 t -61.71 134.08 56.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.449 HD11 ' CG2' ' A' ' 51' ' ' VAL . 7.0 mp -89.25 20.67 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.48 -39.2 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.646 1.216 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 2.8 p -128.6 16.12 6.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 46.48 23.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.231 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . 48.5 mttt -65.45 171.8 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -143.86 134.69 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.19 165.98 28.42 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.548 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.7 m-85 -72.47 138.23 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.488 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -132.3 150.85 77.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.465 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.04 131.72 14.57 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.589 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.1 OUTLIER -75.62 -28.63 58.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.053 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -71.01 -6.74 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.358 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.541 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.7 OUTLIER -113.97 8.24 17.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 m -130.83 168.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.453 ' HB2' ' CD2' ' A' ' 31' ' ' LEU . . . -153.7 112.09 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.97 138.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -33.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.58 11.84 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -119.79 29.41 7.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.0 mt -100.57 143.52 30.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.79 102.63 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.366 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.547 ' O ' ' CG ' ' B' ' 120' ' ' HIS . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 8.8 m-70 -175.44 124.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 89.0 p -77.85 57.34 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.967 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -69.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -103.3 160.14 27.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo -74.99 53.64 3.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.41 ' O ' ' O ' ' B' ' 124' ' ' PRO . 24.8 mt 60.24 149.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.675 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.6 Cg_endo -74.98 166.58 28.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.593 1.838 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.74 6.77 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 12.8 mt -61.78 131.8 93.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.541 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -75.0 -165.68 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 15.1 m -123.68 75.39 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.969 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.5 mp 40.46 77.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 145.33 31.22 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.493 1.786 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -122.43 124.74 44.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.27 147.25 18.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 m -165.36 146.23 6.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -177.34 3.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -124.66 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 178.65 6.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.425 1.75 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.38 93.7 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.7 p -174.77 149.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.959 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -174.67 85.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.574 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -143.18 159.49 42.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -143.3 167.53 21.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.96 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -170.69 161.24 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.1 p -69.57 148.92 97.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.407 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.522 1.801 . . . . 0.0 110.944 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -53.16 -63.54 4.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.118 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLY . 9.7 mt 59.5 153.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.79 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.71 139.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -123.15 159.23 29.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.01 126.07 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -53.01 -50.03 52.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.404 ' C ' ' HG2' ' A' ' 24' ' ' GLU . 0.8 OUTLIER 67.58 -64.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.96 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLY . 3.2 pt-20 -175.03 94.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -157.1 100.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.378 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mm -85.26 97.35 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.405 HG23 ' NE2' ' A' ' 49' ' ' GLN . 10.2 mm -86.07 129.02 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 32.9 m -135.86 127.75 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.407 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.3 p -88.48 137.6 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.416 ' HB1' ' O ' ' A' ' 45' ' ' GLN . . . -66.75 120.73 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.497 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 18.3 mt -73.98 -28.4 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.754 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 4.9 m-85 -142.68 170.4 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.24 135.52 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 57.8 t80 -136.24 141.22 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -132.1 58.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.76 89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.7 mt -67.71 -49.47 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.233 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.608 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -85.6 -153.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -99.94 -56.01 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 109.658 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 1.6 tt0 -85.68 69.34 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.469 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -152.56 157.01 40.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.6 tp -99.89 154.7 18.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.5 p -109.08 135.31 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -146.47 -179.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.416 ' O ' ' HB1' ' A' ' 30' ' ' ALA . 59.1 mt-30 -124.71 155.5 39.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tttt -57.69 107.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.93 -1.53 21.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.04 133.24 35.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 0.723 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.405 ' NE2' HG23 ' A' ' 27' ' ' ILE . 1.2 mm-40 -99.26 132.09 44.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.8 mtm -126.92 146.83 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.7 t -93.45 97.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.413 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 6.4 t -62.82 117.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.185 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.3 -53.49 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -118.38 140.57 49.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.53 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.6 OUTLIER -135.49 83.2 2.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.4 t -60.31 -63.11 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.69 -80.82 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -97.05 -65.25 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 110.248 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.608 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 28.5 m95 -72.78 131.38 42.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 7.7 m0 -119.49 150.7 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.967 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.601 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -93.8 97.5 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.413 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -115.64 165.8 12.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -113.59 130.76 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 13.8 t -62.97 129.31 39.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.402 HD12 ' N ' ' A' ' 65' ' ' LEU . 10.7 mp -85.24 8.17 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.99 -14.48 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.504 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 2.9 p -146.32 16.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 35.23 32.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.5 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 61.0 mttt -76.27 -178.32 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -152.19 124.48 8.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.91 28.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.708 ' CE1' ' H1 ' ' B' ' 119' ' ' ACE . 23.6 m-85 -70.5 131.83 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.472 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -126.46 151.64 73.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.462 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.96 137.89 22.42 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.572 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -80.8 -29.15 36.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.188 . . . . 0.0 109.899 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -70.64 -6.83 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.59 7.7 17.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 3.7 m -131.22 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.46 109.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.4 OUTLIER -36.98 140.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.44 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -86.74 12.31 11.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -118.84 28.69 8.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.92 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 mt -102.15 131.75 48.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -134.4 88.84 2.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.42 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.708 ' H1 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -162.62 126.79 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 91.1 p -106.03 86.98 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -112.07 -39.81 4.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -105.83 145.01 30.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo -75.05 53.34 3.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.537 1.809 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 124' ' ' PRO . 26.4 mt 59.1 152.62 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.06 160.96 39.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.465 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 12.4 mt -49.18 135.15 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.754 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo -75.01 -55.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 39.9 t -172.76 129.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 47.9 tp -133.26 -65.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.771 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mt -113.05 114.39 26.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.76 146.13 4.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -170.24 105.28 0.43 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 110.061 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 176.88 9.32 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.75 88.57 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.429 1.081 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.41 8.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.27 98.01 6.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 m -50.19 111.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -170.62 125.01 0.7 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 t30 179.18 117.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p -175.69 147.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 173.68 153.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.9 p -82.22 147.83 58.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.384 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.75 -53.76 24.55 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.5 mt 60.13 153.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.1 120.89 12.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -63.14 157.78 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 179.97 124.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.14 57.16 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.05 -44.62 3.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -150.94 85.92 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.594 1.184 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -161.32 91.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 mm -77.35 96.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.463 ' CD1' HG23 ' A' ' 51' ' ' VAL . 8.3 mm -83.35 127.55 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.7 m -135.25 131.71 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.7 p -91.4 137.47 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.535 ' HB1' ' CD1' ' A' ' 44' ' ' PHE . . . -67.74 117.45 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 27.4 mt -71.86 -37.61 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.63 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 1.6 m-85 -135.91 152.58 51.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.77 137.39 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 66.0 t80 -138.1 132.68 32.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.2 mt-10 -126.07 60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.5 87.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 59.2 mt -69.32 -52.56 31.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.627 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.9 p-80 -116.85 155.06 29.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -46.56 170.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.626 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 47.15 66.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.585 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 32.2 m-20 -169.07 148.45 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.418 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 9.7 tp -96.41 156.64 16.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 p -109.08 138.28 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.535 ' CD1' ' HB1' ' A' ' 30' ' ' ALA . 18.3 p90 -148.98 -176.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 35.9 mt-30 -124.92 156.7 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tttm -60.96 108.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.87 -6.72 17.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.481 1.113 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.67 142.3 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.415 ' NE2' HG23 ' A' ' 27' ' ' ILE . 1.3 mm-40 -106.66 137.12 45.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 9.3 mtm -130.69 147.13 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 65' ' ' LEU . 25.4 t -92.43 94.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.424 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 3.1 t -61.04 112.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 7.2 mt -94.03 -54.93 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -115.44 145.75 42.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -137.94 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.0 65.59 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.7 -161.71 19.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.397 1.061 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.83 -54.51 41.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 26.1 m95 -75.82 138.03 40.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 8.4 m0 -120.59 152.43 38.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.55 96.74 9.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -117.93 159.55 22.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.437 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 2.1 tmm_? -107.53 127.56 53.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.467 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -58.48 138.55 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.482 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.0 mp -93.07 18.36 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.84 -36.75 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -123.23 10.88 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.374 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 67' ' ' THR . 23.4 ptt180 43.59 26.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.437 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 63.1 mttt -72.26 176.22 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.89 124.77 12.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.74 161.27 26.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.0 m-85 -66.8 141.45 57.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.439 HG23 ' CD2' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -134.34 152.43 78.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.452 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.03 132.66 15.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.531 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 1.9 t -77.87 -25.72 48.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.438 ' CG ' ' HD2' ' B' ' 126' ' ' PRO . 25.5 p-10 -75.89 -1.53 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -117.37 5.81 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 6.2 m -130.31 168.28 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.72 110.12 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.5 OUTLIER -37.06 138.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -32.14 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.14 11.31 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -117.99 30.01 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -102.6 143.04 32.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 42.84 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.42 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.599 ' O ' ' CD2' ' B' ' 120' ' ' HIS . . . . . . . . 0 C--O 1.229 0.005 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' B' ' 119' ' ' ACE . 1.4 m170 -169.32 125.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.627 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 79.0 p -96.22 74.37 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.19 -50.98 7.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -112.05 155.15 43.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 55.43 3.92 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.433 HD21 ' CG ' ' A' ' 76' ' ' ASN . 21.0 mt 62.67 152.3 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.218 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.528 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.9 166.11 29.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 113.43 3.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.572 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 19.3 mt -59.63 135.33 89.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.63 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.0 Cg_endo -74.99 -25.6 11.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.402 ' O ' ' O ' ' B' ' 129' ' ' PRO . 0.7 OUTLIER 52.98 102.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 33.7 mt -63.75 -66.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 165.17 31.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mp -128.0 171.88 11.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.75 168.38 40.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -161.46 97.55 1.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 174.32 12.99 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.28 89.19 1.98 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.89 163.77 34.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -95.98 99.57 11.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -165.14 139.4 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -172.71 168.18 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.635 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -114.91 160.29 19.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 p -151.79 144.95 24.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.907 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.17 142.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.6 p -74.58 147.95 85.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.43 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.544 1.812 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -49.6 -66.28 2.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' GLY . 9.1 mt 58.88 156.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -47.12 138.53 6.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.66 167.15 18.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.33 84.37 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -43.43 -58.97 3.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 166.35 -175.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 110.02 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 71.44 98.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.32 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 23.3 p-10 -123.58 93.96 4.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 mm -99.37 103.56 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' HG23 ' A' ' 51' ' ' VAL . 9.1 mm -89.7 122.5 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 34.6 m -129.22 129.51 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.414 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.75 142.68 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.55 ' HB2' ' CD1' ' A' ' 44' ' ' PHE . . . -74.89 115.99 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 25.5 mt -72.34 -35.6 68.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.553 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 2.0 m-85 -135.88 149.52 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.63 136.61 58.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.3 t80 -134.83 127.12 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -116.76 57.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.497 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 40.75 79.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 97.3 mt -55.99 -52.78 45.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.594 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.2 p-80 -114.38 -176.6 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.36 176.27 6.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 43.21 55.88 4.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -153.83 150.92 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.486 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 12.7 tp -98.23 146.75 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.3 m -100.37 139.63 35.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.8 p90 -152.44 175.44 12.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -118.75 158.96 24.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -59.83 109.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.62 -3.47 23.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.33 136.0 42.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 0.804 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.47 128.51 50.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 17.0 mtm -124.3 150.3 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.455 HG23 ' CD1' ' A' ' 27' ' ' ILE . 52.7 t -95.71 93.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.417 ' HA ' ' CB ' ' A' ' 62' ' ' ALA . 3.1 t -60.01 113.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 10.0 mt -95.02 -54.97 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -115.94 143.58 45.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.494 ' CG ' ' CD1' ' A' ' 60' ' ' TRP . 2.1 tm-20 -137.66 73.23 1.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -66.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.08 -80.66 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.1 mm-40 -91.66 -71.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 0.79 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.594 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 26.1 m95 -70.11 138.44 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 108.012 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.57 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 7.8 m0 -121.33 150.93 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.3 tttt -93.62 97.82 10.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 1.06 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.417 ' CB ' ' HA ' ' A' ' 52' ' ' VAL . . . -116.55 164.45 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.473 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -112.09 134.16 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 2.8 t -68.04 132.11 46.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 51' ' ' VAL . 6.5 mp -87.35 12.21 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.25 -15.29 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 3.0 p -152.21 20.57 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 36.63 30.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 67' ' ' THR . 55.2 mttt -70.6 177.95 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -151.69 127.82 10.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.223 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.03 161.84 25.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.9 m-85 -68.25 135.79 52.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.486 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -130.71 151.62 79.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 135.59 19.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.57 ' HB2' ' CZ2' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -81.56 -23.42 37.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.426 ' ND2' ' HB3' ' B' ' 125' ' ' LEU . 24.9 p-10 -75.33 -7.58 54.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.524 ' CE1' HD22 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -111.37 -4.63 14.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.956 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 29' ' ' VAL . 4.1 m -113.45 174.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -160.19 106.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' ALA . 0.2 OUTLIER -36.64 139.1 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -29.66 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 8.11 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m -123.85 25.36 8.04 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 mt -90.35 156.13 18.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.31 96.99 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.476 ' H2 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.041 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.93 121.58 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 89.9 p -92.99 80.01 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 -50.05 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -104.07 151.77 39.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo -74.97 54.07 3.51 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.426 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 17.6 mt 59.47 151.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 163.45 35.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.84 6.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.543 ' CD2' ' CE2' ' A' ' 32' ' ' TYR . 12.1 mt -62.09 134.24 94.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.553 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo -74.99 -25.42 11.89 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 130' ' ' SER . . . . . 0.401 ' O ' ' N ' ' B' ' 132' ' ' NH2 . 0.1 OUTLIER 56.91 89.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.4 pp -67.45 74.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.356 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . 0.401 ' N ' ' O ' ' B' ' 130' ' ' SER . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mp 64.53 174.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.71 139.54 2.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.63 85.15 2.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.25 18.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.456 1.766 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.24 94.24 0.1 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.397 1.061 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.48 22.51 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.416 1.745 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.74 95.31 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 t -58.56 135.44 57.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -136.77 153.43 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.621 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -176.42 108.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.5 p -97.39 137.53 36.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t30 178.43 101.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.42 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 82.1 p -53.28 138.47 48.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.01 -162.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.88 -58.67 6.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.4 mt 60.62 150.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -51.37 119.23 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -114.22 157.01 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.43 153.07 48.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.8 -48.87 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.69 -171.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.441 0.73 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 68.71 103.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.593 1.183 . . . . 0.0 110.237 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -159.16 96.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.34 101.1 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.382 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.476 ' CD1' HG23 ' A' ' 51' ' ' VAL . 5.7 mm -86.72 128.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 33.8 m -136.15 132.79 50.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.5 p -92.85 138.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.427 ' HB3' ' CD1' ' A' ' 44' ' ' PHE . . . -67.61 121.25 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 79.8 mt -78.28 -15.52 58.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.2 m-85 -159.28 150.4 19.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 147.99 24.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.619 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.9 t80 -149.71 131.07 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.57 58.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.474 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.3 87.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.483 HD11 ' HB3' ' B' ' 126' ' ' PRO . 88.6 mt -65.04 -56.93 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.228 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.647 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -109.84 158.77 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -55.57 159.1 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.579 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' OE1' ' NE2' ' B' ' 120' ' ' HIS . 0.8 OUTLIER 63.29 57.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -159.59 154.13 24.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.172 . . . . 0.0 109.253 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' HB3' ' CG2' ' A' ' 73' ' ' ILE . 10.6 tp -99.42 153.72 18.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 p -107.1 138.61 42.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 110.099 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 16.0 p90 -146.84 -171.9 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -130.52 157.68 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -63.74 102.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.69 4.53 10.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -88.48 139.46 30.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.421 ' NE2' HG23 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -103.03 134.47 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 11.5 mtm -126.92 148.8 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.476 HG23 ' CD1' ' A' ' 27' ' ' ILE . 27.1 t -94.24 95.18 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.7 t -60.47 117.3 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . 0.417 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.5 mt -99.75 -54.06 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -116.81 141.76 47.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -137.67 80.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.3 p -56.89 -46.66 81.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.41 -77.3 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.17 -70.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TRP . . . . . 0.647 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 33.1 m95 -74.0 133.98 43.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . 0.527 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.3 m0 -120.16 150.56 40.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.584 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -94.19 97.76 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -115.57 168.36 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 2.9 tmm_? -116.69 126.04 52.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.442 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.6 OUTLIER -60.39 131.07 49.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.471 ' CD1' HG21 ' A' ' 51' ' ' VAL . 11.2 mp -86.91 14.07 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.95 -25.86 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 70.3 p -138.08 11.31 2.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 11.5 ptt180 46.52 24.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.496 ' O ' ' CG ' ' A' ' 63' ' ' ARG . 56.9 mttt -67.79 177.38 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.42 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 20.1 mt-10 -149.57 130.45 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.12 170.82 38.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.604 ' CD1' ' H3 ' ' B' ' 119' ' ' ACE . 16.2 m-85 -75.98 137.4 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -132.81 152.41 79.8 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HG2' ' HB2' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.527 ' HB2' ' CE2' ' A' ' 60' ' ' TRP . 1.4 t -80.91 -28.45 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 32.3 p-10 -71.75 -6.31 40.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -113.05 6.11 17.49 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -129.47 170.56 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -158.21 112.13 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -39.37 139.55 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -32.57 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.26 12.4 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.1 t -119.04 28.62 8.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.082 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.73 144.47 30.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.11 107.52 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 119' ' ' ACE . . . . . 0.604 ' H3 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 120' ' ' HIS . . . . . 0.438 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -136.77 -63.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 7.1 p 66.27 53.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -25.0 12.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 123' ' ' TYR . . . . . 0.501 ' HD2' ' CD2' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -121.86 150.13 55.14 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 124' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo -75.0 54.88 3.78 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.599 1.841 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 125' ' ' LEU . . . . . 0.468 ' HB3' ' ND2' ' A' ' 76' ' ' ASN . 17.0 mt 59.74 152.25 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 126' ' ' PRO . . . . . 0.566 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.02 167.25 27.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.4 6.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . 0.581 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.4 mm? -62.57 131.84 94.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 129' ' ' PRO . . . . . 0.441 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.5 Cg_endo -75.03 -29.76 7.84 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.15 105.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.95 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -31.57 64.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.1 mm -89.9 127.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 80' ' ' ARG . 29.9 m -134.39 132.6 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.9 p -92.06 133.71 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.73 124.13 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 68.5 mt -80.38 -16.54 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.615 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.0 m-85 -159.13 148.08 18.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.79 138.67 52.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.6 t80 -139.91 128.4 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -121.83 60.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 9.8 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.71 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.3 tp -93.3 154.31 18.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 p -108.46 136.68 47.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.7 p90 -145.3 -171.33 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 39.7 mt-30 -129.3 159.09 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -66.25 103.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.94 -4.2 10.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.31 145.37 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 109.271 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -106.86 141.9 37.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.468 ' SD ' HD13 ' A' ' 73' ' ' ILE . 13.0 mtm -132.93 147.71 52.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 27' ' ' ILE . 56.0 t -94.15 93.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.624 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -60.94 119.77 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.24 -52.94 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.469 ' OE1' HD11 ' B' ' 125' ' ' LEU . 8.4 mm-40 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.533 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 25.8 m95 -75.36 132.98 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.594 ' HE3' HG21 ' A' ' 52' ' ' VAL . 6.0 m0 -119.9 152.02 38.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 108.028 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -94.64 98.1 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.3 156.35 27.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -104.13 122.44 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 19.5 t -54.04 130.91 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 mt -89.3 22.52 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.99 -37.55 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -125.39 1.22 7.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' SER . 7.0 mtm-85 59.75 24.11 13.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.71 ' HB3' HD11 ' A' ' 42' ' ' LEU . 45.0 mttt -68.89 176.96 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -147.49 121.12 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.4 161.9 30.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 19.9 m-85 -68.56 140.85 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 0.818 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.91 152.08 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.58 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.05 135.27 18.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.417 1.746 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.67 ' HA ' HG22 ' A' ' 78' ' ' VAL . 3.6 t -78.65 -30.11 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.741 ' HB3' HD13 ' B' ' 125' ' ' LEU . 25.4 p-10 -69.8 -7.46 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.36 13.15 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.3 m -138.49 167.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.27 112.22 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.47 137.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -33.06 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.52 12.53 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.451 -0.987 0 N-CA-C 111.043 -0.407 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 76' ' ' ASN . 24.8 mt 59.02 154.3 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.533 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -74.96 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 114.02 3.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.6 mt -54.49 131.13 63.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 4.1 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ARG . 4.7 mm -85.51 129.34 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 80' ' ' ARG . 26.8 m -136.89 133.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.6 p -92.39 134.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -62.7 125.87 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 42.3 mt -81.83 -17.61 46.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.655 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.7 m-85 -157.8 145.88 18.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -56.1 137.45 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 76.2 t80 -137.79 127.65 25.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -118.04 60.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.371 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.524 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -88.87 150.62 22.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.7 p -106.95 146.79 30.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.0 p90 -153.94 -172.35 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.446 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 74.0 mt-30 -128.63 155.01 45.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -62.42 103.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.68 -2.56 12.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -83.75 143.65 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.369 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.05 142.36 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.412 ' SD ' HD13 ' A' ' 73' ' ' ILE . 24.9 mtm -132.21 152.44 51.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 71.5 t -97.94 94.3 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.605 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 8.8 t -61.26 116.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD23 HG12 ' A' ' 51' ' ' VAL . 12.2 mt -97.91 -52.91 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.555 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 25.3 m95 -84.36 135.25 34.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 6.2 m0 -121.16 152.87 38.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -95.33 98.08 10.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.19 159.95 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.91 122.88 48.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.36 131.95 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.41 24.74 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.94 -42.0 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -112.45 -15.19 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 72.26 24.59 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.615 ' HB3' HD11 ' A' ' 42' ' ' LEU . 23.1 mttt -74.4 -179.83 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 35.2 mt-10 -148.98 125.71 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.08 167.05 37.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.9 m-85 -73.48 134.98 44.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -128.32 152.24 77.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.506 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.6 Cg_endo -74.94 131.18 14.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.677 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.7 t -75.15 -31.45 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.853 ' HB3' HD13 ' B' ' 125' ' ' LEU . 28.6 p-10 -69.88 -6.23 31.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -113.56 12.06 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.061 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.677 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.5 m -137.52 166.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -152.29 113.71 4.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.601 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -39.66 140.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -34.56 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.04 10.98 14.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.958 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.938 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.4 mt 60.31 153.87 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.555 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 165.48 31.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.655 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.0 mt -51.72 132.88 37.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.598 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.595 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.5 mm -84.49 128.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.464 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.0 m -134.16 129.5 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -90.25 134.79 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -64.03 124.65 22.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 79' ' ' ALA . 34.8 mt -79.81 -23.81 41.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.693 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.6 m-85 -151.11 149.88 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.433 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 21.0 p-10 -56.77 142.19 41.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.1 t80 -144.42 126.83 15.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -119.78 58.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 15.7 m-20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.0 tp -92.64 152.75 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.1 p -106.52 143.69 34.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.606 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 12.5 p90 -150.62 -171.56 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.561 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 35.3 mt-30 -128.72 155.79 44.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.433 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.3 tmtt? -64.0 101.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.84 -2.2 10.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 149.98 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -110.74 140.21 45.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.483 ' HA ' HD13 ' A' ' 65' ' ' LEU . 10.7 mtm -132.84 146.48 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.054 HG23 HD11 ' A' ' 65' ' ' LEU . 46.8 t -93.47 96.33 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.569 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 12.0 t -62.0 118.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.512 ' CD2' HG12 ' A' ' 51' ' ' VAL . 8.5 mt -100.66 -53.99 2.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.0 mm-40 . . . . . 0 C--N 1.323 -0.548 0 O-C-N 124.579 1.174 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 15.1 m95 -79.32 136.68 37.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 108.078 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.9 m0 -120.28 152.16 38.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 3.1 tttt -93.78 97.19 10.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.0 165.17 13.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.3 tmm_? -113.35 123.94 51.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.237 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.9 t -55.41 132.9 49.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.054 HD11 HG23 ' A' ' 51' ' ' VAL . 10.9 mp -89.57 22.48 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.19 -39.24 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.9 p -116.11 -10.92 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.4 mtt-85 67.58 19.99 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.508 ' HB3' HD11 ' A' ' 42' ' ' LEU . 15.7 mttm -70.43 179.99 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 23.0 mt-10 -147.99 124.82 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.16 168.55 40.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 22.4 m-85 -74.37 138.93 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.48 151.45 77.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 131.52 14.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.668 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.1 t -76.46 -25.94 54.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.622 ' HB3' HD13 ' B' ' 125' ' ' LEU . 19.6 p-10 -74.31 -3.23 28.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.52 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -117.15 12.87 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' HA ' ' A' ' 75' ' ' SER . 11.5 m -137.93 169.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.47 110.35 3.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.464 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.17 138.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -32.04 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.33 12.56 13.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.958 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.622 HD13 ' HB3' ' A' ' 76' ' ' ASN . 19.9 mt 59.26 153.88 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.596 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.95 165.58 31.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.076 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.41 4.28 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.693 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.0 mt -58.01 131.97 83.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.52 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mm . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.8 mm -85.37 125.3 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.501 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.3 m -132.9 128.62 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.5 p -89.69 134.13 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.5 129.07 39.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 79' ' ' ALA . 26.7 mt -85.31 -21.9 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.709 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.1 m-85 -153.92 144.46 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 7.5 m-20 -52.09 139.09 23.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.63 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.2 t80 -140.55 126.45 19.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -113.2 55.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 69' ' ' LYS . 13.3 tp -89.35 155.96 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 5.9 m -110.96 137.82 48.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 18.3 p90 -148.22 -172.38 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 48.7 mt-30 -129.42 158.86 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 13.5 tmtt? -65.06 101.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.13 -1.4 9.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.92 150.13 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.51 138.69 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.429 ' HA ' HD13 ' A' ' 65' ' ' LEU . 12.6 mtm -131.23 147.63 52.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.982 HG23 HD11 ' A' ' 65' ' ' LEU . 18.2 t -94.07 93.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.565 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.1 t -59.94 114.71 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.523 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.7 mt -96.43 -55.09 3.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.715 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 18.6 m95 -78.41 134.93 37.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 4.2 m0 -122.44 153.48 39.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -94.21 98.42 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.68 162.15 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.7 tmm_? -109.9 124.47 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.419 ' HB2' HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -58.52 134.12 56.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.982 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -90.07 22.38 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.71 -37.52 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -123.77 -1.76 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.68 17.26 8.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.642 ' HB3' HD11 ' A' ' 42' ' ' LEU . 23.0 mtpt -64.96 177.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 31.9 mt-10 -147.62 121.95 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . -175.18 160.76 29.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.9 m-85 -65.98 142.64 57.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -136.73 152.07 73.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 128.52 11.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.609 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.9 t -72.93 -26.01 61.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.914 ' HB3' HD13 ' B' ' 125' ' ' LEU . 15.6 p-10 -74.79 -1.36 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.648 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -119.11 15.28 13.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 75' ' ' SER . 10.1 m -140.49 166.96 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -151.79 110.33 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.37 138.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.41 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.2 12.18 12.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.914 HD13 ' HB3' ' A' ' 76' ' ' ASN . 18.2 mt 57.88 157.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.715 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.709 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.1 mt -48.95 129.63 14.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.648 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 51' ' ' VAL . 4.9 mm -90.67 130.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 80' ' ' ARG . 28.1 m -136.15 134.18 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.6 p -93.43 135.76 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -65.21 119.12 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 66.2 mt -75.35 -16.11 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.67 ' CE2' ' CD1' ' B' ' 128' ' ' LEU . 1.6 m-85 -159.54 149.36 18.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 2.6 m-20 -58.72 140.61 54.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.4 t80 -141.2 132.82 27.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -122.75 57.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 59' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.846 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -92.39 152.54 19.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 p -106.83 137.13 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.6 p90 -145.95 -172.64 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 78.7 mt-30 -129.0 158.22 39.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 2.1 tttt -63.69 103.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.06 1.71 12.75 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.88 135.97 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 0.728 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -100.95 136.49 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.448 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.3 mtm -127.59 149.81 50.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 27' ' ' ILE . 66.3 t -94.62 93.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.557 HG21 ' HE3' ' A' ' 60' ' ' TRP . 6.5 t -60.73 118.64 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 51' ' ' VAL . 14.0 mt -99.45 -53.5 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 24.2 mm-40 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.648 ' OE1' HD11 ' B' ' 125' ' ' LEU . 51.7 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 27.4 m95 -79.78 135.98 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.3 m0 -120.74 151.34 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 108.044 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.1 tttt -94.23 97.33 10.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.54 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.41 160.28 20.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -108.74 124.06 49.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.81 128.2 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 65' ' ' LEU . 19.4 mt -85.75 15.51 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.34 -32.9 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 31.2 p -128.93 11.22 6.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.439 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 2.7 ptp180 45.98 27.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.846 ' HB3' HD11 ' A' ' 42' ' ' LEU . 25.1 mttm -70.57 179.11 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -150.81 123.62 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.89 168.69 39.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.4 m-85 -74.74 138.38 42.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 0.743 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.41 151.18 76.98 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.664 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.9 140.26 25.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.767 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -82.03 -31.65 30.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.835 ' HB3' HD13 ' B' ' 125' ' ' LEU . 33.1 p-10 -67.85 -8.56 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.506 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -112.39 8.26 19.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.911 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.767 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.5 m -132.58 167.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.23 110.77 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.587 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -39.14 137.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -33.22 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.87 12.76 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 N-CA-C 111.04 -0.408 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.835 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.5 mt 59.08 151.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.99 165.83 30.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 116.96 4.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.2 mm? -56.92 133.36 79.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.506 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 26' ' ' ILE . 3.6 mm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.0 mm -78.64 124.46 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.3 m -133.18 127.92 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.71 135.56 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -64.81 122.06 16.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 79' ' ' ALA . 25.8 mt -76.06 -36.03 59.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.727 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.8 m-85 -137.46 158.29 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.05 135.48 55.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.593 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.7 t80 -133.63 131.26 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -121.15 57.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.493 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.888 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -107.7 150.76 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.9 p -102.58 144.11 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 23.8 p90 -156.54 177.15 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.568 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 51.2 mt-30 -121.72 160.0 25.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -60.86 108.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -2.02 22.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.02 134.29 37.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -101.31 128.78 47.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.387 1.054 . . . . 0.0 110.255 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.419 ' SD ' HD13 ' A' ' 73' ' ' ILE . 17.1 mtm -122.64 151.59 41.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 56.6 t -97.51 94.12 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.556 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.7 t -60.08 114.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 HG12 ' A' ' 51' ' ' VAL . 9.3 mt -96.0 -53.62 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.303 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 9.0 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.648 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 14.4 m95 -71.13 133.75 46.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 5.1 m0 -121.53 153.74 37.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -94.9 98.42 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.58 159.37 22.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.224 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.6 126.16 52.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -58.56 131.23 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.412 HD23 HH11 ' A' ' 63' ' ' ARG . 20.1 mt -87.46 17.46 4.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.63 -35.21 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 20.3 p -127.94 12.01 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.474 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 1.9 ptp85 46.16 25.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.888 ' HB3' HD11 ' A' ' 42' ' ' LEU . 15.7 mttm -68.78 176.69 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -148.59 126.74 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.32 166.84 35.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.5 m-85 -73.85 138.71 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.43 153.17 79.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.489 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.98 141.12 26.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -85.07 -24.83 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.984 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.481 ' O ' HD21 ' B' ' 128' ' ' LEU . 24.1 p-10 -75.28 -3.32 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.53 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -116.3 11.22 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.641 HG22 ' HA ' ' A' ' 75' ' ' SER . 6.4 m -134.73 169.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.442 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -153.95 108.14 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -36.43 137.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -32.25 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.49 12.57 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.1 mt 59.22 154.09 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.648 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 163.45 35.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.32 4.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.1 mt -55.27 134.68 69.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.678 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 26' ' ' ILE . 4.2 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.596 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.6 mm -82.45 129.62 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.6 m -136.0 128.85 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.7 p -88.36 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -68.78 121.81 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 19.0 mt -77.6 -35.3 52.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.842 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.2 m-85 -137.19 151.5 48.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.96 138.28 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.4 t80 -137.38 134.86 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.1 mt-10 -126.81 58.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.5 tp -97.21 154.22 17.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.5 p -107.83 137.13 46.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -148.62 -178.91 6.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.1 mt-30 -123.56 160.57 26.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 3.2 tttt -62.02 108.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.0 0.7 24.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.59 136.33 36.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -102.0 132.41 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.481 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.6 mtm -127.46 149.47 50.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.596 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.0 t -96.54 95.0 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 13.0 t -59.86 123.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.484 ' CD2' HG12 ' A' ' 51' ' ' VAL . 8.9 mt -106.3 -53.56 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 110.331 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' B' ' 125' ' ' LEU . 6.6 mm-40 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.713 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 28.2 m95 -79.91 132.85 36.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 107.969 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.8 m0 -121.71 151.2 40.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -92.77 98.51 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.52 157.22 26.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 4.2 tmm_? -106.43 125.11 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 13.3 t -57.73 132.67 53.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 65' ' ' LEU . 8.8 mt -88.39 18.6 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.84 -36.21 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 10.1 p -127.81 12.01 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.3 OUTLIER 46.53 26.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.795 ' HB3' HD11 ' A' ' 42' ' ' LEU . 56.1 mttt -69.2 176.77 3.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -148.0 124.62 11.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.88 162.8 29.55 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.5 m-85 -69.8 138.52 52.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.79 151.92 77.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.566 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 140.84 25.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.746 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -84.87 -26.65 27.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.569 ' HB3' HD13 ' B' ' 125' ' ' LEU . 28.0 p-10 -73.35 -5.81 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.671 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -113.14 2.58 15.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.746 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.9 m -125.17 169.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -153.03 109.13 3.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.521 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.56 137.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.35 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.05 12.02 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 76' ' ' ASN . 28.2 mt 60.53 149.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.713 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 166.32 29.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 119.67 5.76 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.842 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -63.76 133.97 95.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.987 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.437 ' CD1' HG22 ' A' ' 51' ' ' VAL . 7.2 mm -87.76 127.86 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.514 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.9 m -134.79 127.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -87.09 134.57 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -63.9 121.72 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD21 ' CB ' ' A' ' 79' ' ' ALA . 30.1 mt -76.23 -23.78 54.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.3 m-85 -152.09 150.78 30.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 28.8 p-10 -56.78 143.64 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.1 t80 -144.7 130.27 18.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -122.79 59.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.1 tp -86.66 152.72 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -108.27 138.08 45.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.635 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.3 p90 -145.26 -171.78 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.514 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 50.2 mt-30 -130.31 155.08 46.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.1 tmtt? -62.22 102.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.31 -1.52 10.53 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.47 144.62 28.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -106.94 138.3 43.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.9 mtm -129.84 150.26 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.9 t -95.7 94.17 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.613 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.9 t -61.5 126.87 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' HG12 ' A' ' 51' ' ' VAL . 10.9 mt -108.36 -50.45 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HB3' ' A' ' 74' ' ' PRO . 22.0 m95 -70.12 133.57 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.7 m0 -124.09 152.37 42.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 6.2 tttt -93.38 96.68 10.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -114.22 160.89 18.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -110.62 122.75 48.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.45 128.31 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.23 31.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.68 -42.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.5 p -121.4 -4.4 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 68.49 22.76 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.873 ' HB3' HD11 ' A' ' 42' ' ' LEU . 20.1 mttt -74.27 138.98 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 13.8 mt-10 -111.74 134.04 53.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 173.25 162.05 24.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.585 1.178 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.1 m-85 -68.05 146.23 53.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -141.64 152.29 62.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.567 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.93 134.78 18.37 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.45 1.763 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.608 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -79.05 -28.38 43.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.658 ' HB3' HD13 ' B' ' 125' ' ' LEU . 26.1 p-10 -72.45 -5.79 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -113.29 10.5 18.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.6 m -134.41 169.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.53 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -153.83 110.64 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.514 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -38.43 137.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.83 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -86.92 11.53 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 76' ' ' ASN . 23.2 mt 60.8 153.53 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.517 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.99 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.591 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.0 mt -54.4 134.06 62.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.1 mm . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.576 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.2 mm -84.06 127.13 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 80' ' ' ARG . 26.8 m -134.19 132.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 1.9 p -91.72 136.71 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.58 116.91 8.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 79' ' ' ALA . 59.6 mt -73.2 -23.12 60.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.899 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.1 m-85 -152.46 148.54 27.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 34.3 p-10 -55.93 146.98 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.622 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.3 t80 -149.05 124.73 10.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -113.14 55.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.737 HD13 ' C ' ' A' ' 70' ' ' GLU . 13.3 tp -96.36 151.0 19.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 p -105.16 139.8 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.0 p90 -147.3 -171.36 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.622 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 65.7 mt-30 -129.94 157.67 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.231 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -64.87 101.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.27 5.91 9.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 147.45 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.373 0.69 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -108.8 137.46 46.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.462 ' SD ' HD13 ' A' ' 73' ' ' ILE . 9.8 mtm -130.79 148.61 52.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.919 HG23 HD11 ' A' ' 65' ' ' LEU . 56.1 t -95.15 95.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.589 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -61.94 122.13 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.27 -52.04 3.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.7 mm-40 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 38.7 m95 -69.98 130.24 41.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.564 ' HE3' HG21 ' A' ' 52' ' ' VAL . 9.8 m0 -117.85 152.94 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 107.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.5 tttm -98.01 97.1 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.08 168.13 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.1 tmm_? -116.63 123.77 48.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.8 t -54.63 133.11 46.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.919 HD11 HG23 ' A' ' 51' ' ' VAL . 10.8 mp -90.78 23.65 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.4 -39.31 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 p -122.04 -4.12 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.412 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 64.97 21.32 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.536 ' HB3' HD11 ' A' ' 42' ' ' LEU . 14.7 mttt -70.08 178.06 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.737 ' C ' HD13 ' A' ' 42' ' ' LEU . 19.0 mt-10 -145.19 147.87 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . 159.85 165.14 16.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.1 m-85 -72.74 139.42 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.635 HD12 HG11 ' A' ' 78' ' ' VAL . 1.1 pt -133.41 151.57 77.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.651 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.01 130.7 13.5 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.672 ' HA ' HG22 ' A' ' 78' ' ' VAL . 4.1 t -75.44 -26.35 58.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.855 ' HB3' HD13 ' B' ' 125' ' ' LEU . 18.4 p-10 -72.98 -5.76 40.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.807 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -114.58 6.18 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.4 m -126.72 171.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -158.43 110.05 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.565 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -38.1 138.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -32.43 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.11 11.83 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.855 HD13 ' HB3' ' A' ' 76' ' ' ASN . 13.8 mt -40.39 154.99 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.02 163.36 35.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.76 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 117.9 5.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.899 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -56.91 130.93 79.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.678 ' HD3' ' OH ' ' A' ' 77' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.415 ' O ' HG22 ' A' ' 26' ' ' ILE . 3.9 mm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' NE2' ' A' ' 49' ' ' GLN . 14.0 mm -81.25 122.61 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.6 m -129.43 129.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.2 p -89.22 142.98 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.236 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -74.76 114.61 13.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 77' ' ' TYR . 40.7 mt -70.78 -37.4 73.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.678 ' CE2' HD22 ' B' ' 128' ' ' LEU . 1.5 m-85 -133.8 158.5 43.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.46 138.62 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.6 t80 -137.68 134.78 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.98 56.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.414 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.2 tp -107.19 152.77 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.0 p -105.47 143.45 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.0 p90 -155.69 176.61 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 79.8 mt-30 -120.43 155.29 33.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 4.5 tttt -56.2 109.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.12 -2.14 24.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.48 136.13 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.3 mm-40 -104.28 127.5 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.557 ' SD ' HD13 ' A' ' 73' ' ' ILE . 10.6 mtm -122.08 151.06 41.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 53.0 t -95.85 94.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.2 t -60.27 119.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CD2' HG12 ' A' ' 51' ' ' VAL . 9.5 mt -102.42 -52.83 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.267 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.655 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 17.0 m95 -70.71 134.88 47.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.542 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.5 m0 -121.93 150.86 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.3 tttt -93.35 97.16 10.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.35 159.37 22.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -108.51 126.39 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 2.3 t -57.84 132.32 53.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.409 HD23 HH11 ' A' ' 63' ' ' ARG . 19.4 mt -88.08 19.15 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.22 -38.81 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 24.0 p -124.17 12.26 8.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' THR . 19.8 ptt-85 46.43 24.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.916 ' HB3' HD11 ' A' ' 42' ' ' LEU . 61.4 mttt -66.94 176.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' C ' HD13 ' A' ' 42' ' ' LEU . 31.3 mt-10 -149.25 128.72 13.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.13 169.6 38.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.0 m-85 -77.25 131.6 38.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.632 HD12 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -125.55 151.65 70.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.78 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.99 139.44 24.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.8 t -85.34 -24.14 27.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 110.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.631 ' HB3' HD13 ' B' ' 125' ' ' LEU . 27.6 p-10 -74.12 -8.91 57.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -108.85 -15.35 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -102.97 174.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -159.61 107.75 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -36.0 139.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.24 55.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -87.04 11.96 12.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 76' ' ' ASN . 17.4 mt 59.65 154.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.06 164.03 34.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.678 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.0 mt -62.96 133.16 95.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.451 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.6 mm -85.37 128.56 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.9 m -135.12 131.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.167 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.0 p -90.17 136.24 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.11 116.47 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.4 mt -69.13 -39.7 78.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.821 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.4 m-85 -131.78 164.3 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -71.47 137.8 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.521 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 58.1 t80 -136.26 133.38 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -126.78 60.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.4 tp -93.9 151.45 19.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -105.42 141.71 36.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 34' ' ' TYR . 22.7 p90 -153.83 -179.38 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 94.1 mt-30 -125.16 155.47 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -56.99 110.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.65 -2.38 24.7 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 134.83 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -99.79 134.23 42.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.536 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.6 mtm -129.28 147.96 51.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.511 HG12 HD23 ' A' ' 53' ' ' LEU . 54.2 t -93.35 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.4 t -61.82 118.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 51' ' ' VAL . 9.1 mt -98.59 -53.36 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.475 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 67.3 m95 -67.85 115.21 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 11.7 m0 -103.22 151.26 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.61 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 12.0 tttm -96.31 99.45 11.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -118.06 167.55 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -118.52 123.24 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 48.0 t -51.77 130.58 29.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.96 21.21 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.51 -38.25 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 p -121.58 0.89 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' SER . 5.9 mtt-85 58.2 21.16 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.767 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.4 mttt -67.26 177.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.684 ' C ' HD13 ' A' ' 42' ' ' LEU . 18.3 mt-10 -146.36 140.84 26.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.66 165.46 23.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.431 1.082 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.61 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.2 m-85 -75.17 131.83 40.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.536 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -124.75 151.97 68.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.637 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.06 136.62 20.52 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.567 1.825 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.659 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -80.02 -29.06 39.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.735 ' HB3' HD13 ' B' ' 125' ' ' LEU . 27.7 p-10 -72.15 -4.32 28.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -114.62 5.98 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.659 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.8 m -128.6 170.32 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -156.23 109.71 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.525 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -37.66 138.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -33.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -86.78 10.65 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.823 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 76' ' ' ASN . 22.6 mt 61.57 155.44 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.475 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.95 165.7 30.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.821 HD22 ' CE2' ' A' ' 32' ' ' TYR . 17.8 mt -59.42 134.68 88.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.741 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.494 HD12 ' CZ ' ' A' ' 80' ' ' ARG . 24.1 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.582 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.6 mm -91.75 129.57 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.0 m -136.22 128.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.52 136.52 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.44 118.27 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -72.96 -34.01 66.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.73 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.2 m-85 -137.56 161.68 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.97 141.49 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.545 ' CB ' ' CZ ' ' A' ' 44' ' ' PHE . 68.1 t80 -141.67 127.42 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -118.32 58.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.6 tp -89.45 151.06 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.8 p -106.31 146.25 30.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 34' ' ' TYR . 23.5 p90 -156.37 -177.53 6.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.628 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 89.0 mt-30 -127.68 161.33 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -62.4 107.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.162 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.54 -2.24 20.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.12 136.23 37.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -102.93 129.98 49.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.516 ' SD ' HD13 ' A' ' 73' ' ' ILE . 12.4 mtm -125.47 147.99 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.987 HG23 HD11 ' A' ' 65' ' ' LEU . 45.9 t -93.97 95.36 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.6 HG21 ' HE3' ' A' ' 60' ' ' TRP . 3.4 t -61.42 118.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 51' ' ' VAL . 10.1 mt -98.59 -54.32 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.1 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' HB3' HD21 ' B' ' 125' ' ' LEU . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.622 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 37.0 m95 -73.84 134.25 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 107.996 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.6 ' HE3' HG21 ' A' ' 52' ' ' VAL . 13.3 m0 -121.07 153.91 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 107.963 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 8.0 tttm -97.41 97.46 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.88 166.17 12.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.0 tmm_? -115.92 125.05 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.359 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.66 131.64 47.0 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 110.054 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.987 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -89.85 22.12 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.55 -38.18 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.387 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -124.36 -2.35 8.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' SER . 6.8 mtp180 64.56 21.8 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.3 mttm -64.92 177.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.557 ' C ' HD13 ' A' ' 42' ' ' LEU . 28.3 mt-10 -149.82 133.5 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 172.07 172.39 37.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.5 m-85 -79.29 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.516 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -131.49 152.95 81.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.494 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.1 Cg_endo -75.06 137.94 22.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.679 ' HA ' HG22 ' A' ' 78' ' ' VAL . 12.1 t -82.5 -26.46 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.575 1.172 . . . . 0.0 109.938 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.509 ' CB ' HD22 ' B' ' 125' ' ' LEU . 23.6 p-10 -74.06 -3.55 30.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.576 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -115.12 5.74 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.679 HG22 ' HA ' ' A' ' 75' ' ' SER . 5.3 m -128.79 169.3 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.61 108.73 2.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.494 ' CZ ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -36.4 135.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -32.08 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -86.47 11.26 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.012 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.944 0 N-CA-C 111.075 -0.394 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' A' ' 76' ' ' ASN . 14.0 mt 59.52 154.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.08 164.07 33.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.62 6.16 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.73 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -61.81 132.49 93.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mm . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.491 HG22 ' OE1' ' A' ' 49' ' ' GLN . 6.1 mm -87.35 127.09 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.443 HG12 ' HG2' ' A' ' 80' ' ' ARG . 33.7 m -135.19 124.82 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.4 p -86.58 135.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.96 127.69 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 79' ' ' ALA . 46.8 mt -84.45 -16.66 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.8 m-85 -160.19 150.88 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.94 136.6 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 68.5 t80 -136.78 143.69 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -133.2 55.88 1.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.533 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 4.1 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.4 tp -100.18 152.11 20.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.6 p -106.47 133.64 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.5 p90 -141.79 -170.97 3.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.585 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 63.8 mt-30 -130.66 160.47 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.309 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -65.53 103.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.38 -1.15 12.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.91 137.26 33.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.491 ' OE1' HG22 ' A' ' 27' ' ' ILE . 5.5 mm100 -101.43 140.13 36.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.497 ' HA ' HD13 ' A' ' 65' ' ' LEU . 12.2 mtm -131.91 147.77 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.97 HG23 HD11 ' A' ' 65' ' ' LEU . 11.9 t -93.65 95.23 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.569 HG21 ' HE3' ' A' ' 60' ' ' TRP . 4.4 t -61.28 113.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.504 ' CD2' HG12 ' A' ' 51' ' ' VAL . 11.0 mt -92.59 -55.44 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.769 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 23.0 m95 -73.05 134.17 44.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.4 m0 -122.24 155.25 36.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 4.1 tttt -96.84 98.95 10.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.23 163.48 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 65' ' ' LEU . 1.1 tmm_? -110.96 123.73 50.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.447 ' HB2' HD21 ' A' ' 42' ' ' LEU . 7.3 t -56.45 130.84 46.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.97 HD11 HG23 ' A' ' 51' ' ' VAL . 11.1 mp -89.15 21.68 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.63 -37.54 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -121.74 -7.28 9.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.569 1.168 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.2 20.14 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.581 ' HB3' HD11 ' A' ' 42' ' ' LEU . 27.8 mttm -68.73 177.21 2.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 122.85 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.35 165.42 36.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.568 1.167 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.1 m-85 -71.59 139.18 49.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.98 152.85 78.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 145.22 31.07 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.626 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -86.85 -28.15 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.769 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 30.3 p-10 -71.59 -4.77 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -115.41 14.47 16.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.626 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -140.03 166.08 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -152.91 107.28 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -36.41 141.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -34.45 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.69 10.62 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.978 -0.431 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 76' ' ' ASN . 14.4 mt 57.72 156.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.769 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -74.99 166.85 28.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.769 ' CD2' ' ND2' ' A' ' 76' ' ' ASN . 1.8 mm? -64.78 131.52 95.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.451 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.594 1.839 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.3 mm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.487 ' CD1' HG22 ' A' ' 51' ' ' VAL . 7.9 mm -86.67 125.02 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 80' ' ' ARG . 29.5 m -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.41 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.3 p -92.54 134.24 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.24 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -62.86 121.06 12.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 79' ' ' ALA . 25.0 mt -74.78 -30.72 61.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.726 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.5 m-85 -141.56 165.03 28.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.16 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 45.6 t80 -139.62 138.86 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -125.87 54.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 6.0 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.1 tp -109.38 154.92 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.4 p -109.07 134.83 51.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.2 p90 -147.72 178.52 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 62.0 mt-30 -123.13 154.36 38.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -56.48 108.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.34 17.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -75.23 141.34 43.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.2 mm-40 -107.11 131.79 53.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.496 ' HA ' HD13 ' A' ' 65' ' ' LEU . 14.4 mtm -126.05 146.21 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.011 HG23 HD11 ' A' ' 65' ' ' LEU . 42.3 t -91.62 94.5 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.631 HG21 ' HE3' ' A' ' 60' ' ' TRP . 3.3 t -61.92 115.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 51' ' ' VAL . 10.2 mt -95.67 -53.42 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 15.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CH2' ' HD3' ' B' ' 126' ' ' PRO . 22.7 m95 -72.54 132.94 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 107.944 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.631 ' HE3' HG21 ' A' ' 52' ' ' VAL . 8.6 m0 -117.75 151.15 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.2 tttt -94.72 97.73 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.612 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.9 159.24 22.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.6 tmm_? -108.95 123.06 48.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.37 131.92 43.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.011 HD11 HG23 ' A' ' 51' ' ' VAL . 10.9 mp -89.39 21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.21 -37.77 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.4 ' CB ' ' HD2' ' A' ' 69' ' ' LYS . 3.4 p -121.24 -5.53 9.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 63.92 21.42 12.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.534 ' HB3' HD11 ' A' ' 42' ' ' LEU . 18.1 mttt -70.84 179.33 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 21.2 mt-10 -147.6 128.43 14.37 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.12 159.28 24.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 27.7 m-85 -69.63 129.21 39.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -121.78 152.66 59.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.91 132.7 15.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.638 ' HA ' HG22 ' A' ' 78' ' ' VAL . 11.0 t -77.28 -25.04 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.613 ' HB3' HD13 ' B' ' 125' ' ' LEU . 21.6 p-10 -76.81 0.0 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -119.64 11.09 11.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 75' ' ' SER . 16.5 m -134.17 170.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.378 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -156.07 108.93 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.52 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -36.36 141.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -31.74 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.08 10.55 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.929 -0.45 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 76' ' ' ASN . 17.9 mt 59.55 154.7 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.598 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.07 164.27 33.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.569 1.826 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.59 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -57.77 134.29 82.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.416 ' CD1' HG22 ' A' ' 51' ' ' VAL . 6.3 mm -86.3 125.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 80' ' ' ARG . 27.7 m -133.06 128.49 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.364 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -89.07 137.44 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -66.56 122.43 17.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.61 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 55.1 mt -79.31 -17.1 55.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.1 m-85 -158.65 146.68 18.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 149.93 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.625 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 67.7 t80 -152.3 127.69 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -120.89 59.5 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 3.2 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.878 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.5 tp -101.31 155.24 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.3 p -108.33 137.96 45.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.054 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.8 p90 -146.73 -171.53 3.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 37.3 mt-30 -130.04 157.57 42.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -64.88 102.18 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.91 10.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.37 148.18 29.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' O ' HD13 ' A' ' 65' ' ' LEU . 4.3 mt-30 -110.53 135.16 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.4 ' HA ' HD13 ' A' ' 65' ' ' LEU . 11.0 mtm -128.11 148.25 50.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.618 1.199 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.006 HG23 HD11 ' A' ' 65' ' ' LEU . 32.6 t -93.97 95.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.6 t -60.5 119.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.209 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.533 ' CD2' HG12 ' A' ' 51' ' ' VAL . 9.2 mt -102.05 -51.53 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.609 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 13.3 m95 -72.06 136.94 46.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 108.095 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 5.5 m0 -123.47 154.33 39.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.92 96.89 9.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -113.59 165.17 12.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -114.42 125.79 54.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.21 132.64 54.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.006 HD11 HG23 ' A' ' 51' ' ' VAL . 10.8 mp -88.11 17.41 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.33 -32.61 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 15.0 p -132.07 12.56 4.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.42 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 10.4 ptp180 46.46 24.45 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.878 ' HB3' HD11 ' A' ' 42' ' ' LEU . 52.9 mttt -67.38 176.25 2.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' C ' HD13 ' A' ' 42' ' ' LEU . 45.9 mt-10 -149.54 126.23 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.49 165.22 32.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.0 m-85 -70.35 139.8 52.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.32 152.23 77.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 126.19 9.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.673 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.4 t -72.12 -25.88 61.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.567 ' HB3' HD13 ' B' ' 125' ' ' LEU . 19.1 p-10 -73.73 -6.44 46.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -113.05 9.23 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.6 m -132.18 171.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.577 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -156.83 111.49 2.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.504 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -38.75 141.33 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.06 -28.01 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.54 8.82 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.888 -0.466 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 76' ' ' ASN . 22.7 mt 59.33 153.71 0.09 OUTLIER Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.88 165.31 31.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 111.033 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.596 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.6 mt -58.44 131.31 84.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.473 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.584 ' CD1' HG22 ' A' ' 51' ' ' VAL . 8.2 mm -84.6 128.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.6 m -135.39 131.18 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.2 p -91.26 136.91 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -65.17 123.65 20.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 60.9 mt -80.71 -15.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.5 m-85 -159.01 151.02 20.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.14 143.24 44.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 78.1 t80 -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -117.32 60.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.483 ' N ' ' OG ' ' A' ' 43' ' ' SER . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.905 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.2 tp -100.6 149.6 23.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.1 m -103.08 142.09 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 17.4 p90 -152.33 -175.07 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 71.3 mt-30 -127.67 156.58 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -62.26 102.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.3 -1.34 9.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.76 147.36 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.36 142.07 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.492 ' SD ' HD13 ' A' ' 73' ' ' ILE . 10.6 mtm -134.36 147.5 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.061 HG23 HD11 ' A' ' 65' ' ' LEU . 46.5 t -94.82 94.85 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.614 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 6.6 t -60.27 118.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 51' ' ' VAL . 8.7 mt -99.73 -53.48 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HB3' HD21 ' B' ' 125' ' ' LEU . 1.3 mt-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 27.7 m95 -73.74 123.98 25.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.7 m0 -112.91 155.72 24.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -97.86 97.46 8.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.42 161.98 18.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 2.9 tmm_? -109.36 130.48 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -61.71 134.08 56.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.061 HD11 HG23 ' A' ' 51' ' ' VAL . 7.0 mp -89.25 20.67 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.48 -39.2 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.646 1.216 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 2.8 p -128.6 16.12 6.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 46.48 23.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.231 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.905 ' HB3' HD11 ' A' ' 42' ' ' LEU . 48.5 mttt -65.45 171.8 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.612 ' C ' HD13 ' A' ' 42' ' ' LEU . 16.8 mt-10 -143.86 134.69 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.19 165.98 28.42 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.7 m-85 -72.47 138.23 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.492 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -132.3 150.85 77.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.612 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.04 131.72 14.57 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.737 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -75.62 -28.63 58.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.053 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.53 ' HB3' HD22 ' B' ' 125' ' ' LEU . 24.6 p-10 -71.01 -6.74 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.541 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.7 OUTLIER -113.97 8.24 17.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.9 m -130.83 168.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.572 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -153.7 112.09 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.97 138.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -33.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.58 11.84 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 76' ' ' ASN . 24.8 mt 60.24 149.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.675 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.6 Cg_endo -74.98 166.58 28.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.593 1.838 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.74 6.77 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -61.78 131.8 93.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.541 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.677 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.2 mm -86.07 129.02 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 80' ' ' ARG . 32.9 m -135.86 127.75 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.3 p -88.48 137.6 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -66.75 120.73 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' A' ' 79' ' ' ALA . 18.3 mt -73.98 -28.4 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.755 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 4.9 m-85 -142.68 170.4 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.24 135.52 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 57.8 t80 -136.24 141.22 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -132.1 58.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.469 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.819 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.6 tp -99.89 154.7 18.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.5 p -109.08 135.31 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -146.47 -179.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 59.1 mt-30 -124.71 155.5 39.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tttt -57.69 107.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.93 -1.53 21.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.04 133.24 35.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 0.723 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -99.26 132.09 44.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.8 mtm -126.92 146.83 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.028 HG23 HD11 ' A' ' 65' ' ' LEU . 41.7 t -93.45 97.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.59 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 6.4 t -62.82 117.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.185 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 51' ' ' VAL . 12.0 mt -97.3 -53.49 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 28.5 m95 -72.78 131.38 42.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.579 ' HE3' HG21 ' A' ' 52' ' ' VAL . 7.7 m0 -119.49 150.7 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.967 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.6 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -93.8 97.5 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.64 165.8 12.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -113.59 130.76 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 13.8 t -62.97 129.31 39.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.028 HD11 HG23 ' A' ' 51' ' ' VAL . 10.7 mp -85.24 8.17 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.99 -14.48 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.505 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 2.9 p -146.32 16.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 35.23 32.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.819 ' HB3' HD11 ' A' ' 42' ' ' LEU . 61.0 mttt -76.27 -178.32 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -152.19 124.48 8.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.91 28.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.6 m-85 -70.5 131.83 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -126.46 151.64 73.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.639 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.96 137.89 22.42 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.732 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -80.8 -29.15 36.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.188 . . . . 0.0 109.899 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.541 ' HB3' HD13 ' B' ' 125' ' ' LEU . 25.8 p-10 -70.64 -6.83 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.59 7.7 17.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.7 m -131.22 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -154.46 109.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.49 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -36.98 140.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.44 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -86.74 12.31 11.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.92 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 76' ' ' ASN . 26.4 mt 59.1 152.62 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.06 160.96 39.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.68 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.4 mt -49.18 135.15 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.755 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.102 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ILE . . . . . 0.412 HD12 ' CZ ' ' A' ' 80' ' ' ARG . 14.4 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.479 HG22 ' NE2' ' A' ' 49' ' ' GLN . 8.3 mm -83.35 127.55 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 80' ' ' ARG . 33.7 m -135.25 131.71 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.7 p -91.4 137.47 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.74 117.45 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 27.4 mt -71.86 -37.61 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.786 ' CE2' HD22 ' B' ' 128' ' ' LEU . 1.6 m-85 -135.91 152.58 51.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.77 137.39 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 66.0 t80 -138.1 132.68 32.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.2 mt-10 -126.07 60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 32.2 m-20 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 69' ' ' LYS . 9.7 tp -96.41 156.64 16.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 p -109.08 138.28 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 18.3 p90 -148.98 -176.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.639 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 35.9 mt-30 -124.92 156.7 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tttm -60.96 108.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.87 -6.72 17.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.481 1.113 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.67 142.3 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.479 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.3 mm-40 -106.66 137.12 45.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.486 ' SD ' HD13 ' A' ' 73' ' ' ILE . 9.3 mtm -130.69 147.13 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 1.008 HG23 HD11 ' A' ' 65' ' ' LEU . 25.4 t -92.43 94.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.639 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 3.1 t -61.04 112.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.517 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.2 mt -94.03 -54.93 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 26.1 m95 -75.82 138.03 40.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.549 ' HE3' HG21 ' A' ' 52' ' ' VAL . 8.4 m0 -120.59 152.43 38.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.55 96.74 9.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.93 159.55 22.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 2.1 tmm_? -107.53 127.56 53.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -58.48 138.55 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 1.008 HD11 HG23 ' A' ' 51' ' ' VAL . 11.0 mp -93.07 18.36 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.84 -36.75 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -123.23 10.88 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.374 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 67' ' ' THR . 23.4 ptt180 43.59 26.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.813 ' HB3' HD11 ' A' ' 42' ' ' LEU . 63.1 mttt -72.26 176.22 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.89 124.77 12.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.74 161.27 26.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.0 m-85 -66.8 141.45 57.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.486 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -134.34 152.43 78.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.03 132.66 15.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.668 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.9 t -77.87 -25.72 48.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.645 ' O ' HD21 ' B' ' 128' ' ' LEU . 25.5 p-10 -75.89 -1.53 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -117.37 5.81 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' HA ' ' A' ' 75' ' ' SER . 6.2 m -130.31 168.28 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.72 110.12 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.473 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.06 138.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -32.14 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.14 11.31 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.998 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.588 HD22 ' CB ' ' A' ' 76' ' ' ASN . 21.0 mt 62.67 152.3 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.218 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.527 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.9 166.11 29.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 113.43 3.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.786 HD22 ' CE2' ' A' ' 32' ' ' TYR . 19.3 mt -59.63 135.33 89.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.63 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 mm . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.566 ' CD1' HG22 ' A' ' 51' ' ' VAL . 9.1 mm -89.7 122.5 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.6 m -129.22 129.51 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.75 142.68 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -74.89 115.99 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 25.5 mt -72.34 -35.6 68.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.768 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.0 m-85 -135.88 149.52 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.63 136.61 58.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.3 t80 -134.83 127.12 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HA ' ' OG ' ' A' ' 43' ' ' SER . 0.5 OUTLIER -116.76 57.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.473 ' N ' ' OG ' ' A' ' 43' ' ' SER . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.911 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.7 tp -98.23 146.75 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.3 m -100.37 139.63 35.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.8 p90 -152.44 175.44 12.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.602 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 46.9 mt-30 -118.75 158.96 24.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -59.83 109.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.62 -3.47 23.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.33 136.0 42.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 0.804 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -103.47 128.51 50.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.434 ' SD ' HD13 ' A' ' 73' ' ' ILE . 17.0 mtm -124.3 150.3 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.928 HG23 HD11 ' A' ' 65' ' ' LEU . 52.7 t -95.71 93.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.599 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 3.1 t -60.01 113.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 51' ' ' VAL . 10.0 mt -95.02 -54.97 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.1 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.556 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 26.1 m95 -70.11 138.44 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 108.012 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.592 ' HE3' HG21 ' A' ' 52' ' ' VAL . 7.8 m0 -121.33 150.93 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.3 tttt -93.62 97.82 10.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 1.06 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.55 164.45 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.537 ' HD2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -112.09 134.16 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -68.04 132.11 46.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.928 HD11 HG23 ' A' ' 51' ' ' VAL . 6.5 mp -87.35 12.21 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 67' ' ' THR . . . -115.25 -15.29 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.525 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 3.0 p -152.21 20.57 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 36.63 30.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.911 ' HB3' HD11 ' A' ' 42' ' ' LEU . 55.2 mttt -70.6 177.95 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.431 ' C ' HD13 ' A' ' 42' ' ' LEU . 41.9 mt-10 -151.69 127.82 10.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.223 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.03 161.84 25.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.9 m-85 -68.25 135.79 52.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.569 HD12 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -130.71 151.62 79.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.738 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.95 135.59 19.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.758 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -81.56 -23.42 37.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.549 ' HB3' HD22 ' B' ' 125' ' ' LEU . 24.9 p-10 -75.33 -7.58 54.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.627 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -111.37 -4.63 14.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.956 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.1 m -113.45 174.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -160.19 106.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -36.64 139.1 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -29.66 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 8.11 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 76' ' ' ASN . 17.6 mt 59.47 151.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 163.45 35.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.84 6.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.768 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.1 mt -62.09 134.24 94.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.218 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ARG . 5.7 mm -86.72 128.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 80' ' ' ARG . 33.8 m -136.15 132.79 50.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.5 p -92.85 138.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.61 121.25 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 79.8 mt -78.28 -15.52 58.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.2 m-85 -159.28 150.4 19.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 147.99 24.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.619 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.9 t80 -149.71 131.07 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.57 58.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 7.2 m-20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.9 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.6 tp -99.42 153.72 18.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 p -107.1 138.61 42.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 110.099 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 16.0 p90 -146.84 -171.9 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 25.6 mt-30 -130.52 157.68 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -63.74 102.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.69 4.53 10.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -88.48 139.46 30.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' O ' HD13 ' A' ' 65' ' ' LEU . 4.0 mt-30 -103.03 134.47 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.446 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.5 mtm -126.92 148.8 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.987 HG23 HD11 ' A' ' 65' ' ' LEU . 27.1 t -94.24 95.18 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.512 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.7 t -60.47 117.3 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LEU . . . . . 0.539 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.5 mt -99.75 -54.06 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.949 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 33.1 m95 -74.0 133.98 43.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.3 m0 -120.16 150.56 40.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -94.19 97.76 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.57 168.36 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.504 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.9 tmm_? -116.69 126.04 52.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.39 131.07 49.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.987 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -86.91 14.07 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.95 -25.86 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 70.3 p -138.08 11.31 2.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 11.5 ptt180 46.52 24.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.9 ' HB3' HD11 ' A' ' 42' ' ' LEU . 56.9 mttt -67.79 177.38 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.481 ' C ' HD13 ' A' ' 42' ' ' LEU . 20.1 mt-10 -149.57 130.45 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.12 170.82 38.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 16.2 m-85 -75.98 137.4 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -132.81 152.41 79.8 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.594 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.713 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.4 t -80.91 -28.45 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 32.3 p-10 -71.75 -6.31 40.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -113.05 6.11 17.49 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -129.47 170.56 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.6 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -158.21 112.13 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.528 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.37 139.55 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -32.57 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.26 12.4 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.082 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 124' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.455 -0.79 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 125' ' ' LEU . . . . . 0.535 HD22 ' CB ' ' A' ' 76' ' ' ASN . 17.0 mt 59.74 152.25 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 126' ' ' PRO . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.02 167.25 27.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.4 6.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.581 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.4 mm? -62.57 131.84 94.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 129' ' ' PRO . . . . . 0.441 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.75 8.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.1 mt -151.29 152.38 33.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.04 141.24 7.57 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -115.72 123.48 31.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.19 13.2 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.43 1.753 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.49 89.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.97 9.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.93 91.83 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 109.237 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -53.28 152.91 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.085 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -147.97 170.25 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.543 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -169.92 163.88 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -142.86 141.3 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 172.94 139.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.191 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.4 p -95.74 146.95 32.22 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.19 68.26 0.35 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.9 mm -56.39 144.15 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.28 150.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.19 171.27 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.294 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.9 179.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.1 69.43 1.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 2.9 m -76.46 -177.42 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' SER . 3.2 mm-40 160.82 111.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -159.92 95.67 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm -79.45 101.14 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 109.208 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.1 mm -89.9 127.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 80' ' ' ARG . 29.9 m -134.39 132.6 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.9 p -92.06 133.71 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.73 124.13 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 68.5 mt -80.38 -16.54 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.615 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.0 m-85 -159.13 148.08 18.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.79 138.67 52.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.6 t80 -139.91 128.4 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -121.83 60.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . 39.31 89.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.38 -49.15 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.584 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.9 OUTLIER -119.38 166.55 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.607 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -54.97 171.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.644 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 43.42 68.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.532 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 9.8 m-20 -166.69 144.88 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.71 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.3 tp -93.3 154.31 18.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 p -108.46 136.68 47.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.7 p90 -145.3 -171.33 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 39.7 mt-30 -129.3 159.09 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -66.25 103.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.94 -4.2 10.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.31 145.37 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 109.271 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -106.86 141.9 37.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.468 ' SD ' HD13 ' A' ' 73' ' ' ILE . 13.0 mtm -132.93 147.71 52.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 27' ' ' ILE . 56.0 t -94.15 93.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.624 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -60.94 119.77 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.24 -52.94 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -118.85 140.17 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.517 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.5 tm-20 -133.87 74.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.67 -61.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.79 -93.56 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.404 1.065 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' OE1' HD11 ' B' ' 125' ' ' LEU . 8.4 mm-40 -87.85 -61.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.584 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 25.8 m95 -75.36 132.98 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.594 ' HE3' HG21 ' A' ' 52' ' ' VAL . 6.0 m0 -119.9 152.02 38.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 108.028 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -94.64 98.1 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.3 156.35 27.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -104.13 122.44 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 19.5 t -54.04 130.91 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 mt -89.3 22.52 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.99 -37.55 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -125.39 1.22 7.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' SER . 7.0 mtm-85 59.75 24.11 13.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.71 ' HB3' HD11 ' A' ' 42' ' ' LEU . 45.0 mttt -68.89 176.96 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -147.49 121.12 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.4 161.9 30.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 19.9 m-85 -68.56 140.85 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 0.818 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.91 152.08 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.58 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.05 135.27 18.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.417 1.746 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.67 ' HA ' HG22 ' A' ' 78' ' ' VAL . 3.6 t -78.65 -30.11 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.741 ' HB3' HD13 ' B' ' 125' ' ' LEU . 25.4 p-10 -69.8 -7.46 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.36 13.15 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.3 m -138.49 167.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.27 112.22 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.47 137.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -33.06 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.52 12.53 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.0 t -119.1 25.45 10.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.0 mt -98.38 148.49 23.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' THR . 2.4 mm-40 -131.99 132.53 43.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' GLU . 63.6 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.427 ' CH3' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -178.29 121.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.553 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 83.3 p -98.36 93.19 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.9 -44.16 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -109.21 151.19 41.89 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.121 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo -75.07 53.94 3.52 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.458 1.767 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 76' ' ' ASN . 24.8 mt 59.02 154.3 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.533 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -74.96 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 114.02 3.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.6 mt -54.49 131.13 63.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo -74.98 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -73.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 110.016 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.468 ' C ' HD12 ' B' ' 131' ' ' LEU . 4.2 pp -96.64 166.15 11.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 177.85 8.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 0.0 111.049 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.94 140.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.14 149.46 4.99 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.13 93.11 0.63 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 168.42 24.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.94 98.45 0.12 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.59 12.51 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.426 1.751 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.05 95.99 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -44.89 150.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.95 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.47 144.05 13.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 109.577 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -147.14 110.63 4.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 p -142.79 128.95 19.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -174.67 122.74 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.4 p -59.12 159.7 13.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.394 1.734 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.4 87.04 0.81 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mt -96.87 142.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 109.354 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -128.67 142.78 50.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.254 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 174.76 176.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.65 103.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.36 65.22 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.1 -173.56 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 70.54 87.67 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -163.34 102.31 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 4.1 mm -85.15 98.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ARG . 4.7 mm -85.51 129.34 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 80' ' ' ARG . 26.8 m -136.89 133.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.6 p -92.39 134.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -62.7 125.87 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 42.3 mt -81.83 -17.61 46.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.655 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.7 m-85 -157.8 145.88 18.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -56.1 137.45 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 76.2 t80 -137.79 127.65 25.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -118.04 60.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.371 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.65 88.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' B' ' 126' ' ' PRO . 85.1 mt -65.37 -53.86 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.637 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -109.31 -169.78 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.605 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.523 ' O ' ' C ' ' A' ' 40' ' ' GLU . 4.1 t-80 -75.88 -175.98 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.625 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 39' ' ' HIS . 0.4 OUTLIER 28.48 60.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.524 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -151.52 138.97 19.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.35 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -88.87 150.62 22.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.7 p -106.95 146.79 30.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.0 p90 -153.94 -172.35 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.446 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 74.0 mt-30 -128.63 155.01 45.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -62.42 103.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.68 -2.56 12.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -83.75 143.65 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.369 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.05 142.36 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.412 ' SD ' HD13 ' A' ' 73' ' ' ILE . 24.9 mtm -132.21 152.44 51.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 71.5 t -97.94 94.3 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.605 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 8.8 t -61.26 116.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD23 HG12 ' A' ' 51' ' ' VAL . 12.2 mt -97.91 -52.91 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -119.66 141.1 49.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.6 tm-20 -140.44 75.85 1.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.452 ' H ' ' H1 ' ' B' ' 119' ' ' ACE . 18.2 m -72.25 -55.92 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.42 ' O ' ' NE1' ' A' ' 60' ' ' TRP . . . -124.85 -144.74 6.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.384 1.053 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -59.75 -44.0 94.03 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.414 0.714 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.637 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 25.3 m95 -84.36 135.25 34.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 6.2 m0 -121.16 152.87 38.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -95.33 98.08 10.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.19 159.95 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.91 122.88 48.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.36 131.95 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.41 24.74 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.94 -42.0 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -112.45 -15.19 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 72.26 24.59 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.615 ' HB3' HD11 ' A' ' 42' ' ' LEU . 23.1 mttt -74.4 -179.83 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 35.2 mt-10 -148.98 125.71 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.08 167.05 37.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.9 m-85 -73.48 134.98 44.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -128.32 152.24 77.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.506 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.6 Cg_endo -74.94 131.18 14.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.677 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.7 t -75.15 -31.45 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.853 ' HB3' HD13 ' B' ' 125' ' ' LEU . 28.6 p-10 -69.88 -6.23 31.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -113.56 12.06 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.061 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.677 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.5 m -137.52 166.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -152.29 113.71 4.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.601 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -39.66 140.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -34.56 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.04 10.98 14.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t -117.8 28.96 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.958 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -100.79 161.09 13.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 65.48 82.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.453 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.452 ' H1 ' ' H ' ' A' ' 56' ' ' SER . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.09 121.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 121' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 81.6 p -51.63 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LYS . . . . . 0.448 ' N ' ' OG ' ' B' ' 121' ' ' SER . 0.2 OUTLIER 72.39 -80.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -108.21 157.59 35.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.14 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.4 mt 60.31 153.87 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.555 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 165.48 31.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.655 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.0 mt -51.72 132.88 37.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.598 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo -75.02 -67.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 53.6 p -175.52 120.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 52.8 tp -96.51 134.98 39.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.15 13.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.3 138.83 49.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.51 124.67 0.47 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.65 98.63 10.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.04 2.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.774 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.83 83.98 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 166.64 28.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.778 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.73 101.82 14.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -43.99 163.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -146.97 94.86 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -177.14 142.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -160.65 137.26 8.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 176.94 119.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.185 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.3 p -66.06 146.48 99.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.97 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.12 68.19 1.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mt -54.26 144.7 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -84.49 170.89 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -105.16 170.86 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.36 176.86 10.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.81 -70.65 0.3 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.55 -172.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 68.4 96.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.186 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -163.93 98.78 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mm -82.18 94.25 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.595 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.5 mm -84.49 128.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.464 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.0 m -134.16 129.5 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -90.25 134.79 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -64.03 124.65 22.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 79' ' ' ALA . 34.8 mt -79.81 -23.81 41.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.693 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.6 m-85 -151.11 149.88 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.433 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 21.0 p-10 -56.77 142.19 41.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.1 t80 -144.42 126.83 15.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -119.78 58.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . 39.79 85.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.462 HD12 ' HE1' ' A' ' 34' ' ' TYR . 83.7 mt -64.63 -51.91 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.21 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.649 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 2.0 p-80 -115.93 159.83 21.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -55.07 166.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 53.61 58.85 4.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.592 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 15.7 m-20 -162.67 145.67 11.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.0 tp -92.64 152.75 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.1 p -106.52 143.69 34.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.606 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 12.5 p90 -150.62 -171.56 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.561 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 35.3 mt-30 -128.72 155.79 44.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.433 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.3 tmtt? -64.0 101.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.84 -2.2 10.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 149.98 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -110.74 140.21 45.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.483 ' HA ' HD13 ' A' ' 65' ' ' LEU . 10.7 mtm -132.84 146.48 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.054 HG23 HD11 ' A' ' 65' ' ' LEU . 46.8 t -93.47 96.33 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.569 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 12.0 t -62.0 118.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.512 ' CD2' HG12 ' A' ' 51' ' ' VAL . 8.5 mt -100.66 -53.99 2.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.0 mm-40 -113.16 128.69 56.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.579 1.174 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -139.5 76.16 1.55 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 p -92.99 -40.31 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.94 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' NE1' ' A' ' 60' ' ' TRP . . . -122.55 -158.54 10.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.12 -53.81 53.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 0.733 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.649 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 15.1 m95 -79.32 136.68 37.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 108.078 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.9 m0 -120.28 152.16 38.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 3.1 tttt -93.78 97.19 10.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.0 165.17 13.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.3 tmm_? -113.35 123.94 51.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.237 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.9 t -55.41 132.9 49.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.054 HD11 HG23 ' A' ' 51' ' ' VAL . 10.9 mp -89.57 22.48 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.19 -39.24 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.9 p -116.11 -10.92 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.4 mtt-85 67.58 19.99 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.508 ' HB3' HD11 ' A' ' 42' ' ' LEU . 15.7 mttm -70.43 179.99 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 23.0 mt-10 -147.99 124.82 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.16 168.55 40.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 22.4 m-85 -74.37 138.93 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.48 151.45 77.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 131.52 14.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.668 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.1 t -76.46 -25.94 54.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.622 ' HB3' HD13 ' B' ' 125' ' ' LEU . 19.6 p-10 -74.31 -3.23 28.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.52 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -117.15 12.87 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' HA ' ' A' ' 75' ' ' SER . 11.5 m -137.93 169.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.47 110.35 3.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.464 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.17 138.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -32.04 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.33 12.56 13.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t -118.7 28.85 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.958 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -103.26 159.83 15.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.61 82.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.403 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.436 ' O ' ' CG ' ' B' ' 120' ' ' HIS . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 0.5 OUTLIER 175.78 129.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.628 . . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 121' ' ' SER . . . . . 0.521 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 7.1 t -55.66 -67.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.13 -69.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' B' ' 121' ' ' SER . 8.5 m-85 -121.83 159.74 49.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo -74.9 53.44 3.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.622 HD13 ' HB3' ' A' ' 76' ' ' ASN . 19.9 mt 59.26 153.88 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.596 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.95 165.58 31.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.076 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.41 4.28 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.693 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.0 mt -58.01 131.97 83.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.52 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.99 -161.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.27 83.48 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.46 -174.23 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 145.51 31.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.41 -67.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.24 163.92 23.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -154.12 129.46 5.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -176.26 2.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.425 1.75 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.45 110.2 0.23 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.49 6.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.02 94.86 4.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -48.05 157.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.067 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -171.69 167.04 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -172.82 155.69 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 m -167.72 148.12 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -167.57 149.95 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 47.2 p -72.36 147.83 90.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.4 Cg_endo -74.94 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.88 80.09 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 mt -86.14 148.54 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.399 0.706 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -128.75 150.74 50.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.59 167.92 28.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.594 1.184 . . . . 0.0 110.221 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.99 127.16 33.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.08 -49.9 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -171.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 69.24 99.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -160.83 95.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mm -79.11 99.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.8 mm -85.37 125.3 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.501 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.3 m -132.9 128.62 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.5 p -89.69 134.13 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.5 129.07 39.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 79' ' ' ALA . 26.7 mt -85.31 -21.9 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.709 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.1 m-85 -153.92 144.46 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 7.5 m-20 -52.09 139.09 23.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.63 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.2 t80 -140.55 126.45 19.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -113.2 55.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.41 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.59 HD12 ' HB3' ' B' ' 126' ' ' PRO . 74.9 mt -67.16 -56.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.653 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -78.28 -170.88 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.566 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -85.44 -52.94 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.622 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 2.9 pt-20 -89.68 68.43 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.117 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -151.94 148.27 27.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 69' ' ' LYS . 13.3 tp -89.35 155.96 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 5.9 m -110.96 137.82 48.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 18.3 p90 -148.22 -172.38 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 48.7 mt-30 -129.42 158.86 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 13.5 tmtt? -65.06 101.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.13 -1.4 9.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.92 150.13 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.51 138.69 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.429 ' HA ' HD13 ' A' ' 65' ' ' LEU . 12.6 mtm -131.23 147.63 52.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.982 HG23 HD11 ' A' ' 65' ' ' LEU . 18.2 t -94.07 93.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.565 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.1 t -59.94 114.71 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.7 mt -96.43 -55.09 3.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -116.47 133.96 55.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.7 tm-20 -138.37 78.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.34 58.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.93 -143.59 14.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.97 -55.71 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.715 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 18.6 m95 -78.41 134.93 37.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 4.2 m0 -122.44 153.48 39.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -94.21 98.42 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.68 162.15 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.7 tmm_? -109.9 124.47 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.419 ' HB2' HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -58.52 134.12 56.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.982 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -90.07 22.38 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.71 -37.52 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -123.77 -1.76 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.68 17.26 8.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.642 ' HB3' HD11 ' A' ' 42' ' ' LEU . 23.0 mtpt -64.96 177.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 31.9 mt-10 -147.62 121.95 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . -175.18 160.76 29.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' H2 ' ' B' ' 119' ' ' ACE . 24.9 m-85 -65.98 142.64 57.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -136.73 152.07 73.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 128.52 11.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.609 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.9 t -72.93 -26.01 61.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.914 ' HB3' HD13 ' B' ' 125' ' ' LEU . 15.6 p-10 -74.79 -1.36 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.648 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -119.11 15.28 13.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 75' ' ' SER . 10.1 m -140.49 166.96 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -151.79 110.33 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.37 138.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.41 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.2 12.18 12.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -119.84 28.49 8.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.7 mt -100.68 164.68 11.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.76 121.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.419 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.675 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 3.0 m170 -174.99 134.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.621 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 58.3 p -99.54 86.27 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -103.24 -36.94 7.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -112.34 153.16 44.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo -75.02 48.14 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.914 HD13 ' HB3' ' A' ' 76' ' ' ASN . 18.2 mt 57.88 157.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.715 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.709 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.1 mt -48.95 129.63 14.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.648 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -74.94 -26.68 10.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' B' ' 129' ' ' PRO . 1.4 t 84.78 -57.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.551 HD12 ' N ' ' B' ' 132' ' ' NH2 . 4.4 pp -74.57 -45.75 43.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . 0.551 ' N ' HD12 ' B' ' 131' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.97 22.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.812 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -167.4 151.72 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.54 167.03 11.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -168.64 101.85 0.52 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 160.46 40.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.61 86.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.43 20.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.821 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.13 95.6 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.0 t -55.74 114.8 2.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.07 162.32 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 t30 174.46 150.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -151.61 145.19 24.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.572 1.17 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -179.86 148.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.8 p -41.87 158.32 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -50.13 -75.08 0.22 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.549 1.156 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 17' ' ' GLY . 11.1 mt 60.77 147.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.31 123.17 10.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.6 170.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 63.57 137.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.7 57.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.66 -171.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 67.03 93.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.351 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -164.05 99.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm -81.66 101.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 51' ' ' VAL . 4.9 mm -90.67 130.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 80' ' ' ARG . 28.1 m -136.15 134.18 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.6 p -93.43 135.76 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -65.21 119.12 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 66.2 mt -75.35 -16.11 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.67 ' CE2' ' CD1' ' B' ' 128' ' ' LEU . 1.6 m-85 -159.54 149.36 18.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 2.6 m-20 -58.72 140.61 54.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.4 t80 -141.2 132.82 27.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -122.75 57.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.18 82.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.544 HD12 ' HE1' ' A' ' 34' ' ' TYR . 93.8 mt -59.0 -51.39 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.608 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.9 p-80 -116.52 167.43 11.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.5 167.3 3.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 54.47 53.31 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -156.93 146.03 20.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 109.272 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.846 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -92.39 152.54 19.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 p -106.83 137.13 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.6 p90 -145.95 -172.64 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 78.7 mt-30 -129.0 158.22 39.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 2.1 tttt -63.69 103.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.06 1.71 12.75 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.88 135.97 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 0.728 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -100.95 136.49 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.448 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.3 mtm -127.59 149.81 50.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 27' ' ' ILE . 66.3 t -94.62 93.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.557 HG21 ' HE3' ' A' ' 60' ' ' TRP . 6.5 t -60.73 118.64 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 51' ' ' VAL . 14.0 mt -99.45 -53.5 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 24.2 mm-40 -118.31 143.15 46.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.6 OUTLIER -134.5 88.52 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.2 p -59.39 -67.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.054 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.39 -60.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.648 ' OE1' HD11 ' B' ' 125' ' ' LEU . 51.7 mm-40 -108.03 -63.9 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.608 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 27.4 m95 -79.78 135.98 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.3 m0 -120.74 151.34 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 108.044 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.1 tttt -94.23 97.33 10.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.54 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.41 160.28 20.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -108.74 124.06 49.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.81 128.2 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 65' ' ' LEU . 19.4 mt -85.75 15.51 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.34 -32.9 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 31.2 p -128.93 11.22 6.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.439 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 2.7 ptp180 45.98 27.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.846 ' HB3' HD11 ' A' ' 42' ' ' LEU . 25.1 mttm -70.57 179.11 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -150.81 123.62 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.89 168.69 39.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.4 m-85 -74.74 138.38 42.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 0.743 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.41 151.18 76.98 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.664 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.9 140.26 25.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.767 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -82.03 -31.65 30.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.835 ' HB3' HD13 ' B' ' 125' ' ' LEU . 33.1 p-10 -67.85 -8.56 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.506 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -112.39 8.26 19.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.911 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.767 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.5 m -132.58 167.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.23 110.77 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.587 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -39.14 137.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -33.22 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.87 12.76 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -119.98 27.15 8.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 mt -99.51 156.54 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.67 99.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.419 ' CH3' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.31 -49.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.62 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.66 67.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -28.5 9.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.52 149.23 41.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo -75.03 52.97 3.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 111.04 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.835 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.5 mt 59.08 151.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.99 165.83 30.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 116.96 4.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.2 mm? -56.92 133.36 79.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.506 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.02 -33.37 4.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.77 ' C ' HD23 ' B' ' 131' ' ' LEU . 9.9 t 61.98 54.0 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.77 HD23 ' C ' ' B' ' 130' ' ' SER . 0.9 OUTLIER 40.65 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -51.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 1' ' ' GLY . 3.0 mp 66.48 154.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.91 132.32 2.2 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 111.088 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -131.36 140.75 39.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.25 93.21 0.09 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -178.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -56.14 -56.95 14.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m 62.82 127.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -153.74 148.06 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 174.71 154.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.3 p -173.34 137.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.014 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -178.67 152.37 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 11.5 p -79.82 136.82 54.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.355 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.6 Cg_endo -75.01 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.58 74.87 1.89 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.3 mt -81.73 144.06 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.97 122.6 18.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.52 163.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 64.9 132.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.03 56.9 0.09 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.11 -46.87 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.397 0.704 . . . . 0.0 110.045 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -177.9 99.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -142.15 100.36 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 26' ' ' ILE . 3.6 mm -95.74 93.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.0 mm -78.64 124.46 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.3 m -133.18 127.92 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.71 135.56 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -64.81 122.06 16.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 79' ' ' ALA . 25.8 mt -76.06 -36.03 59.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.727 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.8 m-85 -137.46 158.29 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.05 135.48 55.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.593 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.7 t80 -133.63 131.26 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -121.15 57.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.493 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 37.16 88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' B' ' 126' ' ' PRO . 96.7 mt -66.8 -51.17 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.4 1.063 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.644 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -83.42 -150.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.632 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 10.1 t-80 -106.45 -60.64 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.621 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 0.7 OUTLIER -80.05 70.43 6.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -154.48 165.51 36.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.888 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -107.7 150.76 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.9 p -102.58 144.11 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 23.8 p90 -156.54 177.15 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.568 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 51.2 mt-30 -121.72 160.0 25.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -60.86 108.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -2.02 22.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.02 134.29 37.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -101.31 128.78 47.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.387 1.054 . . . . 0.0 110.255 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.419 ' SD ' HD13 ' A' ' 73' ' ' ILE . 17.1 mtm -122.64 151.59 41.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 56.6 t -97.51 94.12 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.556 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.7 t -60.08 114.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 HG12 ' A' ' 51' ' ' VAL . 9.3 mt -96.0 -53.62 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -118.66 139.75 51.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.55 ' CG ' ' CD1' ' A' ' 60' ' ' TRP . 2.7 tm-20 -138.69 77.44 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.4 p -62.9 -60.18 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.14 -112.22 1.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 9.0 mm-40 -78.44 -61.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.648 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 14.4 m95 -71.13 133.75 46.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 5.1 m0 -121.53 153.74 37.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -94.9 98.42 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.58 159.37 22.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.224 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.6 126.16 52.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -58.56 131.23 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.412 HD23 HH11 ' A' ' 63' ' ' ARG . 20.1 mt -87.46 17.46 4.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.63 -35.21 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 20.3 p -127.94 12.01 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.474 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 1.9 ptp85 46.16 25.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.888 ' HB3' HD11 ' A' ' 42' ' ' LEU . 15.7 mttm -68.78 176.69 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -148.59 126.74 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.32 166.84 35.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.5 m-85 -73.85 138.71 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.43 153.17 79.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.489 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.98 141.12 26.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -85.07 -24.83 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.984 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.481 ' O ' HD21 ' B' ' 128' ' ' LEU . 24.1 p-10 -75.28 -3.32 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.53 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -116.3 11.22 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.641 HG22 ' HA ' ' A' ' 75' ' ' SER . 6.4 m -134.73 169.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.442 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -153.95 108.14 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -36.43 137.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -32.25 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.49 12.57 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 t -121.43 26.55 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.8 178.44 5.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.37 -161.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 86' ' ' THR . 24.2 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.499 ' CH3' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.012 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 2.7 m170 -175.76 123.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.652 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.17 85.37 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -48.41 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -105.21 151.85 39.67 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo -74.87 55.52 3.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.1 mt 59.22 154.09 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.648 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 163.45 35.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.32 4.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.1 mt -55.27 134.68 69.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.678 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo -74.98 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.438 ' O ' ' N ' ' B' ' 132' ' ' NH2 . 0.3 OUTLIER -128.77 58.44 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 19.6 mt 70.01 -64.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . 0.438 ' N ' ' O ' ' B' ' 130' ' ' SER . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 94.49 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -81.01 174.44 11.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.33 143.22 3.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.088 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -168.14 112.55 0.58 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.04 178.6 7.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.32 103.26 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.68 5.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.32 94.05 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.7 m -58.04 135.42 56.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -168.15 134.65 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.596 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.55 135.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 p -175.86 137.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -176.64 136.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.2 p -77.01 140.45 66.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.03 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -53.58 -58.19 13.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.427 1.079 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLY . 7.5 mt 60.9 148.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -40.47 147.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -58.88 170.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.383 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.43 144.08 48.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.25 62.79 3.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.41 1.069 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -173.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.436 0.727 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 68.16 100.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -158.52 98.91 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 26' ' ' ILE . 4.2 mm -83.21 94.33 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.596 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.6 mm -82.45 129.62 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.6 m -136.0 128.85 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.7 p -88.36 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -68.78 121.81 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 19.0 mt -77.6 -35.3 52.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.842 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.2 m-85 -137.19 151.5 48.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.96 138.28 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.4 t80 -137.38 134.86 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.1 mt-10 -126.81 58.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.6 87.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.38 -51.9 47.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.635 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -115.35 153.24 31.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.651 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.15 166.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.28 51.6 11.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -154.23 151.37 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.5 tp -97.21 154.22 17.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.5 p -107.83 137.13 46.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -148.62 -178.91 6.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.1 mt-30 -123.56 160.57 26.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 3.2 tttt -62.02 108.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.0 0.7 24.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.59 136.33 36.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -102.0 132.41 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.481 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.6 mtm -127.46 149.47 50.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.596 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.0 t -96.54 95.0 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 13.0 t -59.86 123.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.484 ' CD2' HG12 ' A' ' 51' ' ' VAL . 8.9 mt -106.3 -53.56 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -115.85 132.9 56.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.1 tm-20 -136.77 77.36 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -53.64 7.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.444 ' O ' ' NE1' ' A' ' 60' ' ' TRP . . . -123.84 -132.27 3.89 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' B' ' 125' ' ' LEU . 6.6 mm-40 -73.5 -47.79 38.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.713 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 28.2 m95 -79.91 132.85 36.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 107.969 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.8 m0 -121.71 151.2 40.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -92.77 98.51 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.52 157.22 26.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 4.2 tmm_? -106.43 125.11 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 13.3 t -57.73 132.67 53.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 65' ' ' LEU . 8.8 mt -88.39 18.6 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.84 -36.21 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 10.1 p -127.81 12.01 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.3 OUTLIER 46.53 26.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.795 ' HB3' HD11 ' A' ' 42' ' ' LEU . 56.1 mttt -69.2 176.77 3.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -148.0 124.62 11.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.88 162.8 29.55 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.5 m-85 -69.8 138.52 52.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.79 151.92 77.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.566 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 140.84 25.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.746 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -84.87 -26.65 27.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.569 ' HB3' HD13 ' B' ' 125' ' ' LEU . 28.0 p-10 -73.35 -5.81 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.671 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -113.14 2.58 15.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.746 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.9 m -125.17 169.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -153.03 109.13 3.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.521 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.56 137.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.35 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.05 12.02 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t -120.4 28.29 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.05 148.7 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.13 100.12 4.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.553 ' O ' ' CG ' ' B' ' 120' ' ' HIS . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 4.3 m-70 -176.58 131.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.564 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.23 67.5 4.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -54.41 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -110.41 168.01 8.24 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo -74.93 54.02 3.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 76' ' ' ASN . 28.2 mt 60.53 149.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.713 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 166.32 29.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 119.67 5.76 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.842 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -63.76 133.97 95.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.1 -22.65 14.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.05 78.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -68.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.348 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' O ' HD23 ' A' ' 3' ' ' LEU . 18.4 Cg_endo -74.99 179.73 5.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 2' ' ' PRO . 27.5 mt -147.31 178.64 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.22 164.58 14.19 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -112.37 134.49 21.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.784 . . . . 0.0 109.984 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.62 7.03 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.518 1.799 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.84 88.99 1.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -178.63 4.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.524 1.802 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -95.83 107.33 19.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.213 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -173.44 148.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 110.05 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -160.39 171.51 18.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.637 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.96 156.73 48.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.5 p 178.11 137.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.35 138.74 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 81.2 p -40.15 134.24 1.47 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.44 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.23 76.84 0.46 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.61 1.194 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.8 mt -79.46 143.22 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.206 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -72.36 160.22 32.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -170.29 160.11 7.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.65 116.17 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.25 -61.79 4.74 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.24 -57.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -145.92 83.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -157.95 97.01 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm -80.08 98.14 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 109.197 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.437 ' CD1' HG22 ' A' ' 51' ' ' VAL . 7.2 mm -87.76 127.86 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.514 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.9 m -134.79 127.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -87.09 134.57 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -63.9 121.72 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD21 ' CB ' ' A' ' 79' ' ' ALA . 30.1 mt -76.23 -23.78 54.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.3 m-85 -152.09 150.78 30.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 28.8 p-10 -56.78 143.64 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.1 t80 -144.7 130.27 18.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -122.79 59.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.0 85.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.567 HD12 ' HB3' ' B' ' 126' ' ' PRO . 85.4 mt -62.72 -52.88 54.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.636 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -108.88 -170.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.578 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.507 ' O ' ' C ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -74.43 -178.29 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.585 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 5.0 pt-20 29.08 64.11 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.2 137.56 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.1 tp -86.66 152.72 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -108.27 138.08 45.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.635 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.3 p90 -145.26 -171.78 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.514 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 50.2 mt-30 -130.31 155.08 46.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.1 tmtt? -62.22 102.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.31 -1.52 10.53 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.47 144.62 28.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -106.94 138.3 43.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.9 mtm -129.84 150.26 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.9 t -95.7 94.17 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.613 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.9 t -61.5 126.87 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' HG12 ' A' ' 51' ' ' VAL . 10.9 mt -108.36 -50.45 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.53 -174.08 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 60' ' ' TRP . 13.7 tt0 174.94 76.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 t -65.39 -56.77 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 109.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.06 -64.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.588 1.18 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -112.77 -65.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.636 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 22.0 m95 -70.12 133.57 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.7 m0 -124.09 152.37 42.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 6.2 tttt -93.38 96.68 10.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -114.22 160.89 18.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -110.62 122.75 48.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.45 128.31 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.23 31.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.68 -42.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.5 p -121.4 -4.4 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 68.49 22.76 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.873 ' HB3' HD11 ' A' ' 42' ' ' LEU . 20.1 mttt -74.27 138.98 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 13.8 mt-10 -111.74 134.04 53.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 173.25 162.05 24.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.585 1.178 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.1 m-85 -68.05 146.23 53.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -141.64 152.29 62.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.567 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.93 134.78 18.37 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.45 1.763 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.608 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -79.05 -28.38 43.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.658 ' HB3' HD13 ' B' ' 125' ' ' LEU . 26.1 p-10 -72.45 -5.79 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -113.29 10.5 18.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.6 m -134.41 169.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.53 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -153.83 110.64 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.514 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -38.43 137.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.83 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -86.92 11.53 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -120.02 29.32 7.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.1 mt -101.5 129.71 47.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.2 100.14 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 110.413 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 119' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.566 ' NE2' ' CG ' ' A' ' 59' ' ' TRP . 1.6 p-80 -140.39 173.46 11.48 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.092 . . . . 0.0 109.594 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 8.9 m -157.79 43.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.046 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LYS . . . . . 0.55 ' CE ' ' CG ' ' B' ' 120' ' ' HIS . 0.2 OUTLIER -77.98 -38.49 44.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 123' ' ' TYR . . . . . 0.407 ' HA ' ' HD3' ' B' ' 124' ' ' PRO . 24.0 m-85 -104.77 142.91 25.62 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 123' ' ' TYR . 18.2 Cg_endo -75.13 55.12 3.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 76' ' ' ASN . 23.2 mt 60.8 153.53 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.567 ' HB3' HD12 ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.623 HD13 ' CD2' ' B' ' 131' ' ' LEU . 13.0 mt -54.4 134.06 62.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.08 -55.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.52 137.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.051 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.623 ' CD2' HD13 ' B' ' 128' ' ' LEU . 0.3 OUTLIER -138.92 97.4 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 103.51 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.0 mt -100.27 175.63 5.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.37 134.72 1.76 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.606 1.191 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.61 99.64 5.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 175.0 11.82 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.22 92.34 0.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.04 17.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -85.5 107.09 17.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.361 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 t -40.26 146.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -139.91 124.26 17.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.576 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -179.04 117.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.7 p -166.69 133.89 2.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.89 153.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.531 ' HB ' HD11 ' A' ' 18' ' ' ILE . 29.6 p -89.79 150.13 43.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.433 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.26 76.32 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.531 HD11 ' HB ' ' A' ' 15' ' ' THR . 78.4 mt -62.85 135.81 26.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 0.733 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -71.81 -179.36 2.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -123.51 163.53 20.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.52 155.28 38.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.4 -69.82 0.3 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -63.19 165.05 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 39.48 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -164.04 102.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.1 mm -84.17 95.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.576 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.2 mm -84.06 127.13 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 80' ' ' ARG . 26.8 m -134.19 132.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 1.9 p -91.72 136.71 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.58 116.91 8.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 79' ' ' ALA . 59.6 mt -73.2 -23.12 60.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.899 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.1 m-85 -152.46 148.54 27.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 34.3 p-10 -55.93 146.98 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.622 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.3 t80 -149.05 124.73 10.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -113.14 55.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.66 86.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.461 HD12 ' HB3' ' B' ' 126' ' ' PRO . 80.3 mt -59.0 -47.39 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.494 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -94.79 -160.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.594 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -92.66 -56.9 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.555 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.7 76.97 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -167.55 152.95 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.737 HD13 ' C ' ' A' ' 70' ' ' GLU . 13.3 tp -96.36 151.0 19.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 p -105.16 139.8 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.0 p90 -147.3 -171.36 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.622 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 65.7 mt-30 -129.94 157.67 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.231 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -64.87 101.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.27 5.91 9.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 147.45 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.373 0.69 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -108.8 137.46 46.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.462 ' SD ' HD13 ' A' ' 73' ' ' ILE . 9.8 mtm -130.79 148.61 52.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.919 HG23 HD11 ' A' ' 65' ' ' LEU . 56.1 t -95.15 95.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.589 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -61.94 122.13 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.27 -52.04 3.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -117.59 139.45 50.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -133.97 70.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -50.59 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.74 -84.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.7 mm-40 -95.35 -66.74 0.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 0.784 . . . . 0.0 110.233 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 38.7 m95 -69.98 130.24 41.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.564 ' HE3' HG21 ' A' ' 52' ' ' VAL . 9.8 m0 -117.85 152.94 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 107.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.5 tttm -98.01 97.1 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.08 168.13 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.1 tmm_? -116.63 123.77 48.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.8 t -54.63 133.11 46.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.919 HD11 HG23 ' A' ' 51' ' ' VAL . 10.8 mp -90.78 23.65 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.4 -39.31 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 p -122.04 -4.12 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.412 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 64.97 21.32 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.536 ' HB3' HD11 ' A' ' 42' ' ' LEU . 14.7 mttt -70.08 178.06 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.737 ' C ' HD13 ' A' ' 42' ' ' LEU . 19.0 mt-10 -145.19 147.87 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . 159.85 165.14 16.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 1.136 ' CD1' ' H2 ' ' B' ' 119' ' ' ACE . 20.1 m-85 -72.74 139.42 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.635 HD12 HG11 ' A' ' 78' ' ' VAL . 1.1 pt -133.41 151.57 77.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.651 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.01 130.7 13.5 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.672 ' HA ' HG22 ' A' ' 78' ' ' VAL . 4.1 t -75.44 -26.35 58.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.855 ' HB3' HD13 ' B' ' 125' ' ' LEU . 18.4 p-10 -72.98 -5.76 40.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.807 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -114.58 6.18 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.4 m -126.72 171.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -158.43 110.05 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.565 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -38.1 138.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -32.43 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.11 11.83 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -118.22 29.11 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.6 mt -101.83 141.21 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.72 79.99 1.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 1.136 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.024 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 1.8 m-70 -174.83 125.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.579 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 97.3 p -97.71 71.43 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' B' ' 123' ' ' TYR . 0.5 OUTLIER -100.85 -32.3 10.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 123' ' ' TYR . . . . . 0.4 ' N ' ' HG2' ' B' ' 122' ' ' LYS . 2.4 m-85 -116.09 154.64 48.55 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 137.29 21.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.855 HD13 ' HB3' ' A' ' 76' ' ' ASN . 13.8 mt -40.39 154.99 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.02 163.36 35.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.76 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 117.9 5.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.899 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -56.91 130.93 79.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.678 ' HD3' ' OH ' ' A' ' 77' ' ' TYR . 18.5 Cg_endo -74.95 -28.78 8.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 26.1 m 58.93 114.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.1 pp -80.5 -19.4 45.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.86 6.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.625 1.855 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.9 mt -140.11 175.78 9.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.86 -164.1 22.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.9 93.51 4.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.743 . . . . 0.0 109.91 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.66 41.13 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.4 97.27 0.14 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 168.29 25.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -60.32 -52.46 65.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.6 p 49.88 -175.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -178.66 -170.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.637 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -160.15 118.42 2.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.9 p -142.17 145.62 34.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t30 178.35 145.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 p -72.57 151.93 91.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.489 1.783 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.49 82.26 0.7 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -89.74 136.28 24.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 179.56 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -110.64 146.85 35.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.17 125.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -124.96 57.02 0.69 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -38.82 -52.47 1.73 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.756 . . . . 0.0 110.025 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -172.35 98.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -155.09 99.52 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.415 ' O ' HG22 ' A' ' 26' ' ' ILE . 3.9 mm -88.48 96.25 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' NE2' ' A' ' 49' ' ' GLN . 14.0 mm -81.25 122.61 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.6 m -129.43 129.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.2 p -89.22 142.98 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.236 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -74.76 114.61 13.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 77' ' ' TYR . 40.7 mt -70.78 -37.4 73.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.678 ' CE2' HD22 ' B' ' 128' ' ' LEU . 1.5 m-85 -133.8 158.5 43.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.46 138.62 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.6 t80 -137.68 134.78 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.98 56.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.05 88.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' B' ' 126' ' ' PRO . 71.3 mt -67.77 -43.74 86.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.633 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -89.08 -158.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 11.1 p80 -101.15 -49.76 4.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.78 66.58 7.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.414 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -151.68 165.07 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.2 tp -107.19 152.77 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.0 p -105.47 143.45 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.0 p90 -155.69 176.61 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 79.8 mt-30 -120.43 155.29 33.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 4.5 tttt -56.2 109.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.12 -2.14 24.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.48 136.13 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.3 mm-40 -104.28 127.5 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.557 ' SD ' HD13 ' A' ' 73' ' ' ILE . 10.6 mtm -122.08 151.06 41.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 53.0 t -95.85 94.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.2 t -60.27 119.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CD2' HG12 ' A' ' 51' ' ' VAL . 9.5 mt -102.42 -52.83 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -116.88 133.45 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -128.59 67.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.63 -58.68 5.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.054 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.34 -98.45 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.64 -68.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.749 . . . . 0.0 110.219 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.655 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 17.0 m95 -70.71 134.88 47.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.542 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.5 m0 -121.93 150.86 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.3 tttt -93.35 97.16 10.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.35 159.37 22.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -108.51 126.39 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 2.3 t -57.84 132.32 53.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD23 HH11 ' A' ' 63' ' ' ARG . 19.4 mt -88.08 19.15 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.22 -38.81 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 24.0 p -124.17 12.26 8.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' THR . 19.8 ptt-85 46.43 24.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.916 ' HB3' HD11 ' A' ' 42' ' ' LEU . 61.4 mttt -66.94 176.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' C ' HD13 ' A' ' 42' ' ' LEU . 31.3 mt-10 -149.25 128.72 13.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.13 169.6 38.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.0 m-85 -77.25 131.6 38.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.632 HD12 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -125.55 151.65 70.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.78 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.99 139.44 24.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.8 t -85.34 -24.14 27.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 110.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.631 ' HB3' HD13 ' B' ' 125' ' ' LEU . 27.6 p-10 -74.12 -8.91 57.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -108.85 -15.35 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -102.97 174.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -159.61 107.75 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -36.0 139.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.24 55.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -87.04 11.96 12.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 t -119.51 28.64 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.52 133.8 46.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 52.91 82.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 119' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.82 123.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.537 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 88.0 p -103.22 71.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -51.1 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.49 151.21 37.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 53.23 3.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 76' ' ' ASN . 17.4 mt 59.65 154.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.06 164.03 34.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.678 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.0 mt -62.96 133.16 95.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.08 -23.8 13.31 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.28 50.14 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -164.29 129.82 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.421 1.075 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 148.51 34.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mp -120.83 148.56 43.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.59 153.29 5.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.96 130.51 3.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.559 0.799 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.6 7.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.14 85.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -178.76 4.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.63 95.99 4.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 m -57.09 143.45 38.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.083 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.65 142.01 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -164.52 155.29 14.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.45 155.96 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 179.18 165.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.4 p -64.82 158.72 67.92 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 85.48 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.7 mm -105.28 133.85 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -42.93 118.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -150.24 161.63 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 45.03 84.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.22 -61.25 0.98 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.03 179.08 8.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 39.58 85.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -166.2 98.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm -78.86 95.81 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.451 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.6 mm -85.37 128.56 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.9 m -135.12 131.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.167 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.0 p -90.17 136.24 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.11 116.47 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.4 mt -69.13 -39.7 78.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.821 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.4 m-85 -131.78 164.3 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -71.47 137.8 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.521 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 58.1 t80 -136.26 133.38 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -126.78 60.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . 39.13 88.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.491 HD12 ' HE1' ' A' ' 34' ' ' TYR . 96.8 mt -69.29 -57.44 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.631 ' NE2' ' CZ2' ' A' ' 59' ' ' TRP . 1.2 p-80 -113.38 152.93 29.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.51 168.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 52.17 54.38 10.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.1 m-20 -154.92 147.16 23.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.252 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.4 tp -93.9 151.45 19.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -105.42 141.71 36.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 34' ' ' TYR . 22.7 p90 -153.83 -179.38 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 94.1 mt-30 -125.16 155.47 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -56.99 110.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.65 -2.38 24.7 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 134.83 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -99.79 134.23 42.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.536 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.6 mtm -129.28 147.96 51.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG12 HD23 ' A' ' 53' ' ' LEU . 54.2 t -93.35 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.4 t -61.82 118.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 51' ' ' VAL . 9.1 mt -98.59 -53.36 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -115.52 142.08 47.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 2.0 tt0 -134.55 70.89 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 -62.77 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.81 -69.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.552 1.157 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.9 OUTLIER -108.77 -70.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.79 . . . . 0.0 110.275 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.631 ' CZ2' ' NE2' ' A' ' 38' ' ' HIS . 67.3 m95 -67.85 115.21 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 11.7 m0 -103.22 151.26 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.61 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 12.0 tttm -96.31 99.45 11.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -118.06 167.55 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -118.52 123.24 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 48.0 t -51.77 130.58 29.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.96 21.21 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.51 -38.25 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 p -121.58 0.89 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' SER . 5.9 mtt-85 58.2 21.16 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.767 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.4 mttt -67.26 177.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.684 ' C ' HD13 ' A' ' 42' ' ' LEU . 18.3 mt-10 -146.36 140.84 26.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.66 165.46 23.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.431 1.082 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.729 ' CE1' ' H3 ' ' B' ' 119' ' ' ACE . 24.2 m-85 -75.17 131.83 40.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.536 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -124.75 151.97 68.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.637 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.06 136.62 20.52 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.567 1.825 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.659 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -80.02 -29.06 39.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.735 ' HB3' HD13 ' B' ' 125' ' ' LEU . 27.7 p-10 -72.15 -4.32 28.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -114.62 5.98 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.659 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.8 m -128.6 170.32 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -156.23 109.71 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.525 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -37.66 138.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -33.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -86.78 10.65 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -117.23 28.67 8.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.46 156.98 17.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.25 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -107.18 100.11 9.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 86' ' ' THR . 14.6 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.729 ' H3 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.5 ' CD2' ' CE2' ' A' ' 72' ' ' TYR . 21.3 m-70 -163.92 -50.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p 72.17 48.71 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -81.32 -39.04 25.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -107.27 150.21 39.69 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.17 3.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 76' ' ' ASN . 22.6 mt 61.57 155.44 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.475 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.95 165.7 30.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.821 HD22 ' CE2' ' A' ' 32' ' ' TYR . 17.8 mt -59.42 134.68 88.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.741 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo -75.02 -164.28 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 22.7 m -120.26 -39.47 2.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.949 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 53.3 mt 73.69 -67.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.94 5.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 0.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.5 mt -144.91 176.49 9.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.65 -164.42 12.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -148.08 152.8 40.64 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.418 0.717 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.793 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.81 104.09 0.21 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 176.39 9.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.97 94.44 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 109.228 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -48.39 167.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.64 167.85 13.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -134.94 161.44 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -166.53 145.64 5.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -178.63 157.94 1.0 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 p -44.44 161.62 0.22 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.596 1.84 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.56 85.66 0.95 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.45 1.094 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.6 mt -110.82 138.21 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.431 0.724 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -39.38 130.17 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -174.88 169.55 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.58 76.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.17 -64.28 2.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 p 179.19 -161.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.989 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 66.48 102.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -162.96 96.67 0.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.494 HD12 ' CZ ' ' A' ' 80' ' ' ARG . 24.1 mm -83.73 101.28 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.582 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.6 mm -91.75 129.57 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.0 m -136.22 128.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.52 136.52 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.44 118.27 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -72.96 -34.01 66.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.73 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.2 m-85 -137.56 161.68 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.97 141.49 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.545 ' CB ' ' CZ ' ' A' ' 44' ' ' PHE . 68.1 t80 -141.67 127.42 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -118.32 58.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . 39.56 78.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' B' ' 126' ' ' PRO . 92.6 mt -54.58 -58.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.57 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -104.75 -171.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.529 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' HIS . . . . . 0.5 ' CD2' ' CD ' ' A' ' 40' ' ' GLU . 45.4 p-80 -77.67 -174.8 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.62 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER 31.01 49.5 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.224 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.26 141.91 32.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.6 tp -89.45 151.06 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.8 p -106.31 146.25 30.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 34' ' ' TYR . 23.5 p90 -156.37 -177.53 6.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.628 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 89.0 mt-30 -127.68 161.33 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -62.4 107.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.162 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.54 -2.24 20.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.12 136.23 37.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -102.93 129.98 49.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.516 ' SD ' HD13 ' A' ' 73' ' ' ILE . 12.4 mtm -125.47 147.99 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.987 HG23 HD11 ' A' ' 65' ' ' LEU . 45.9 t -93.97 95.36 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.6 HG21 ' HE3' ' A' ' 60' ' ' TRP . 3.4 t -61.42 118.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 51' ' ' VAL . 10.1 mt -98.59 -54.32 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.1 mm-40 -110.41 153.27 25.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' HG3' ' NE1' ' A' ' 60' ' ' TRP . 24.8 tt0 -146.1 93.44 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -73.84 -62.49 1.48 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.497 1.123 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.8 -70.26 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' HB3' HD21 ' B' ' 125' ' ' LEU . 1.7 mp0 -104.47 -65.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.622 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 37.0 m95 -73.84 134.25 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 107.996 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.6 ' HE3' HG21 ' A' ' 52' ' ' VAL . 13.3 m0 -121.07 153.91 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 107.963 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 8.0 tttm -97.41 97.46 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.88 166.17 12.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.0 tmm_? -115.92 125.05 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.359 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.66 131.64 47.0 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 110.054 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.987 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -89.85 22.12 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.55 -38.18 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.387 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -124.36 -2.35 8.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' SER . 6.8 mtp180 64.56 21.8 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.3 mttm -64.92 177.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.557 ' C ' HD13 ' A' ' 42' ' ' LEU . 28.3 mt-10 -149.82 133.5 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 172.07 172.39 37.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.744 ' CD1' ' H2 ' ' B' ' 119' ' ' ACE . 21.5 m-85 -79.29 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.516 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -131.49 152.95 81.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.1 Cg_endo -75.06 137.94 22.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.679 ' HA ' HG22 ' A' ' 78' ' ' VAL . 12.1 t -82.5 -26.46 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.575 1.172 . . . . 0.0 109.938 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.509 ' CB ' HD22 ' B' ' 125' ' ' LEU . 23.6 p-10 -74.06 -3.55 30.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.576 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -115.12 5.74 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.679 HG22 ' HA ' ' A' ' 75' ' ' SER . 5.3 m -128.79 169.3 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.61 108.73 2.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.494 ' CZ ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -36.4 135.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -32.08 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -86.47 11.26 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 t -119.49 27.96 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.5 mt -99.5 165.14 11.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.67 98.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.437 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.744 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.72 123.72 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 94.5 p -101.33 64.36 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.049 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.92 -35.0 17.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -115.41 150.79 45.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 53.33 3.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.403 1.739 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' A' ' 76' ' ' ASN . 14.0 mt 59.52 154.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.08 164.07 33.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.62 6.16 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.73 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -61.81 132.49 93.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo -74.99 -25.34 11.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.13 84.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.05 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 30.2 mt -93.34 -70.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.202 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.22 8.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.73 140.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.08 165.6 25.37 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.47 1.107 . . . . 0.0 110.978 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -167.98 101.28 0.57 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 110.02 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.35 7.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.95 117.05 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -179.5 5.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.565 1.824 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.05 96.7 4.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 t -51.04 132.11 27.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.56 111.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -175.0 133.52 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -173.28 151.02 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 175.22 137.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 19.4 p -86.79 142.42 34.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.07 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.51 83.29 0.46 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.2 mt -91.34 140.75 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -41.83 161.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -163.01 161.01 25.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.26 168.41 20.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.3 -49.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.95 -175.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 70.8 103.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -152.07 98.17 2.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mm -83.61 102.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.491 HG22 ' OE1' ' A' ' 49' ' ' GLN . 6.1 mm -87.35 127.09 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.443 HG12 ' HG2' ' A' ' 80' ' ' ARG . 33.7 m -135.19 124.82 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.4 p -86.58 135.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.96 127.69 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 79' ' ' ALA . 46.8 mt -84.45 -16.66 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.8 m-85 -160.19 150.88 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.94 136.6 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 68.5 t80 -136.78 143.69 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -133.2 55.88 1.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 37.76 89.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.906 HD12 ' HB3' ' B' ' 126' ' ' PRO . 81.4 mt -64.67 -47.16 90.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.641 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -81.7 -148.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.609 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -111.33 -42.92 3.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.559 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.24 68.87 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.533 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 4.1 m-20 -154.48 160.64 41.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.4 tp -100.18 152.11 20.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.6 p -106.47 133.64 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.5 p90 -141.79 -170.97 3.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.585 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 63.8 mt-30 -130.66 160.47 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.309 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -65.53 103.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.38 -1.15 12.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.91 137.26 33.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.491 ' OE1' HG22 ' A' ' 27' ' ' ILE . 5.5 mm100 -101.43 140.13 36.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.497 ' HA ' HD13 ' A' ' 65' ' ' LEU . 12.2 mtm -131.91 147.77 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.97 HG23 HD11 ' A' ' 65' ' ' LEU . 11.9 t -93.65 95.23 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.569 HG21 ' HE3' ' A' ' 60' ' ' TRP . 4.4 t -61.28 113.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.504 ' CD2' HG12 ' A' ' 51' ' ' VAL . 11.0 mt -92.59 -55.44 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -115.92 144.51 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HG3' ' CD1' ' A' ' 60' ' ' TRP . 15.4 tt0 -139.61 101.91 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -64.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -148.38 -67.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -104.24 -69.13 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.35 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.769 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 23.0 m95 -73.05 134.17 44.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.4 m0 -122.24 155.25 36.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 4.1 tttt -96.84 98.95 10.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.23 163.48 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 65' ' ' LEU . 1.1 tmm_? -110.96 123.73 50.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.447 ' HB2' HD21 ' A' ' 42' ' ' LEU . 7.3 t -56.45 130.84 46.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.97 HD11 HG23 ' A' ' 51' ' ' VAL . 11.1 mp -89.15 21.68 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.63 -37.54 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -121.74 -7.28 9.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.569 1.168 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.2 20.14 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.581 ' HB3' HD11 ' A' ' 42' ' ' LEU . 27.8 mttm -68.73 177.21 2.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 122.85 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.35 165.42 36.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.568 1.167 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.921 ' CD1' ' H2 ' ' B' ' 119' ' ' ACE . 24.1 m-85 -71.59 139.18 49.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.98 152.85 78.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 145.22 31.07 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.626 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -86.85 -28.15 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.769 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 30.3 p-10 -71.59 -4.77 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -115.41 14.47 16.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.626 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -140.03 166.08 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -152.91 107.28 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -36.41 141.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -34.45 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.69 10.62 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t -118.64 25.47 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 mt -97.3 120.44 37.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -89.65 84.38 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.921 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.24 -54.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.594 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t 68.11 62.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.15 -3.55 12.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 123' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' B' ' 124' ' ' PRO . 18.5 m-85 -133.88 149.61 72.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo -74.98 49.29 2.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 76' ' ' ASN . 14.4 mt 57.72 156.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.906 ' HB3' HD12 ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.99 166.85 28.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.769 ' CD2' ' ND2' ' A' ' 76' ' ' ASN . 1.8 mm? -64.78 131.52 95.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.451 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.0 -27.55 9.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.594 1.839 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.07 111.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.03 95.66 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.2 16.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.62 161.0 40.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.31 179.24 47.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.49 98.64 2.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.13 16.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.11 87.02 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 177.86 8.04 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -121.74 97.02 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.6 p -178.34 115.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.89 175.86 9.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.56 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -93.71 126.44 38.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -162.57 150.85 14.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -164.32 153.02 13.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.4 p -87.08 160.55 48.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.351 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.99 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.526 1.803 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -36.81 -84.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.8 mt 60.34 155.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.77 . . . . 0.0 109.213 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -116.86 160.23 21.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.09 172.83 10.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.75 124.15 26.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.61 -61.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -86.95 -178.42 6.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 0.743 . . . . 0.0 109.97 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' SER . 7.0 pt-20 37.4 84.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -158.3 99.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.3 mm -83.38 99.52 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.487 ' CD1' HG22 ' A' ' 51' ' ' VAL . 7.9 mm -86.67 125.02 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 80' ' ' ARG . 29.5 m -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.41 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.3 p -92.54 134.24 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.24 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -62.86 121.06 12.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 79' ' ' ALA . 25.0 mt -74.78 -30.72 61.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.726 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.5 m-85 -141.56 165.03 28.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.16 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 45.6 t80 -139.62 138.86 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -125.87 54.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.97 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.427 HG13 ' CE1' ' A' ' 34' ' ' TYR . 71.7 mt -72.11 -34.68 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.618 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.3 m-70 -91.07 -159.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -102.99 -51.77 3.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.585 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -87.45 34.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.519 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 6.0 m-20 -113.39 165.4 12.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.1 tp -109.38 154.92 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.4 p -109.07 134.83 51.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.2 p90 -147.72 178.52 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 62.0 mt-30 -123.13 154.36 38.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -56.48 108.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.34 17.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -75.23 141.34 43.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.2 mm-40 -107.11 131.79 53.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.496 ' HA ' HD13 ' A' ' 65' ' ' LEU . 14.4 mtm -126.05 146.21 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.011 HG23 HD11 ' A' ' 65' ' ' LEU . 42.3 t -91.62 94.5 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.631 HG21 ' HE3' ' A' ' 60' ' ' TRP . 3.3 t -61.92 115.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 51' ' ' VAL . 10.2 mt -95.67 -53.42 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 15.2 mm-40 -116.49 142.0 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -133.55 66.41 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -45.13 -66.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.79 -87.45 0.09 OUTLIER Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.424 1.078 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.78 -65.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.618 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 22.7 m95 -72.54 132.94 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 107.944 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.631 ' HE3' HG21 ' A' ' 52' ' ' VAL . 8.6 m0 -117.75 151.15 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.2 tttt -94.72 97.73 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.612 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.9 159.24 22.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.6 tmm_? -108.95 123.06 48.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.37 131.92 43.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.011 HD11 HG23 ' A' ' 51' ' ' VAL . 10.9 mp -89.39 21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.21 -37.77 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.4 ' CB ' ' HD2' ' A' ' 69' ' ' LYS . 3.4 p -121.24 -5.53 9.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 63.92 21.42 12.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.534 ' HB3' HD11 ' A' ' 42' ' ' LEU . 18.1 mttt -70.84 179.33 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 21.2 mt-10 -147.6 128.43 14.37 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.12 159.28 24.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 27.7 m-85 -69.63 129.21 39.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -121.78 152.66 59.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.91 132.7 15.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.638 ' HA ' HG22 ' A' ' 78' ' ' VAL . 11.0 t -77.28 -25.04 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.613 ' HB3' HD13 ' B' ' 125' ' ' LEU . 21.6 p-10 -76.81 0.0 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -119.64 11.09 11.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 75' ' ' SER . 16.5 m -134.17 170.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.378 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -156.07 108.93 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.52 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -36.36 141.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -31.74 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.08 10.55 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m -120.22 28.76 7.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.1 mt -98.05 150.26 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 86' ' ' THR . 17.5 pt-20 -141.8 126.04 17.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 85' ' ' GLU . 13.1 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.488 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -169.77 120.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.556 . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 51.6 p -102.82 66.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.84 -46.81 8.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -104.32 150.67 38.67 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 54.36 3.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 76' ' ' ASN . 17.9 mt 59.55 154.7 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.598 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.07 164.27 33.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.569 1.826 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.59 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -57.77 134.29 82.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.0 -59.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 8.4 t -175.99 132.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.564 HD23 ' N ' ' B' ' 131' ' ' LEU . 0.4 OUTLIER -133.29 160.49 37.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 109.385 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -50.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mp 63.81 107.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.85 168.39 21.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -121.15 146.17 43.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 171.17 18.82 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.43 100.98 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.5 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.2 98.52 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -53.58 143.54 19.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -158.37 140.0 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.582 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -175.34 113.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.96 152.14 51.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -168.61 169.38 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 p -107.21 154.43 40.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 110.36 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -45.58 -77.1 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 17' ' ' GLY . 33.8 mt 61.59 140.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.352 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.14 170.53 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -148.71 163.86 36.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.94 130.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.67 -49.48 2.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 73.75 98.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -159.67 95.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 mm -78.05 99.18 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.416 ' CD1' HG22 ' A' ' 51' ' ' VAL . 6.3 mm -86.3 125.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 80' ' ' ARG . 27.7 m -133.06 128.49 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.364 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -89.07 137.44 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -66.56 122.43 17.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.61 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 55.1 mt -79.31 -17.1 55.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.1 m-85 -158.65 146.68 18.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 149.93 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.625 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 67.7 t80 -152.3 127.69 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -120.89 59.5 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.13 86.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.76 -52.76 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.628 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -114.29 162.08 17.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.642 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -57.18 163.92 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.31 57.66 4.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 3.2 m-20 -159.17 154.92 26.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.878 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.5 tp -101.31 155.24 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.3 p -108.33 137.96 45.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.054 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.8 p90 -146.73 -171.53 3.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 37.3 mt-30 -130.04 157.57 42.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HD2' HD22 ' B' ' 131' ' ' LEU . 0.6 OUTLIER -64.88 102.18 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.91 10.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.37 148.18 29.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' O ' HD13 ' A' ' 65' ' ' LEU . 4.3 mt-30 -110.53 135.16 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.4 ' HA ' HD13 ' A' ' 65' ' ' LEU . 11.0 mtm -128.11 148.25 50.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.618 1.199 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.006 HG23 HD11 ' A' ' 65' ' ' LEU . 32.6 t -93.97 95.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.6 t -60.5 119.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.209 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.533 ' CD2' HG12 ' A' ' 51' ' ' VAL . 9.2 mt -102.05 -51.53 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -102.02 -175.82 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.557 ' OE1' ' CE2' ' A' ' 60' ' ' TRP . 11.8 tt0 -179.22 66.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -53.65 -61.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -148.66 -71.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -105.31 -64.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.628 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 13.3 m95 -72.06 136.94 46.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 108.095 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.557 ' CE2' ' OE1' ' A' ' 55' ' ' GLU . 5.5 m0 -123.47 154.33 39.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.92 96.89 9.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -113.59 165.17 12.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -114.42 125.79 54.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.21 132.64 54.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.006 HD11 HG23 ' A' ' 51' ' ' VAL . 10.8 mp -88.11 17.41 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.33 -32.61 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 15.0 p -132.07 12.56 4.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.42 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 10.4 ptp180 46.46 24.45 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.878 ' HB3' HD11 ' A' ' 42' ' ' LEU . 52.9 mttt -67.38 176.25 2.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' C ' HD13 ' A' ' 42' ' ' LEU . 45.9 mt-10 -149.54 126.23 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.49 165.22 32.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.0 m-85 -70.35 139.8 52.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.32 152.23 77.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 126.19 9.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.673 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.4 t -72.12 -25.88 61.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.567 ' HB3' HD13 ' B' ' 125' ' ' LEU . 19.1 p-10 -73.73 -6.44 46.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -113.05 9.23 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.6 m -132.18 171.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.577 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -156.83 111.49 2.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.504 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -38.75 141.33 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.435 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -68.06 -28.01 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.54 8.82 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.42 20.42 8.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.435 HD11 ' HA ' ' A' ' 81' ' ' VAL . 16.8 mt -85.28 164.99 17.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.59 123.71 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.405 ' CH3' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -175.2 121.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.593 . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 91.3 p -99.68 88.45 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -109.07 -54.06 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -97.25 152.32 38.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.0 Cg_endo -74.99 53.1 3.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 76' ' ' ASN . 22.7 mt 59.33 153.71 0.09 OUTLIER Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.88 165.31 31.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 111.033 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.596 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.6 mt -58.44 131.31 84.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.473 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -75.07 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.531 ' C ' HD12 ' B' ' 131' ' ' LEU . 61.0 p -115.31 87.28 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.043 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.531 HD12 ' C ' ' B' ' 130' ' ' SER . 5.7 mp -143.22 139.15 30.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.39 18.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 mt -145.5 153.45 41.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.52 168.27 30.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -160.69 98.1 1.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.944 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.26 33.77 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.05 104.23 0.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.59 35.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.822 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -44.06 -52.36 7.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.3 m 60.8 94.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.05 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -120.21 86.42 2.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.625 1.203 . . . . 0.0 109.618 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.17 114.37 28.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.1 p -136.2 141.98 44.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -154.74 173.17 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -116.13 138.99 24.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.05 74.27 1.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.6 mt -78.3 136.64 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -73.01 -179.15 3.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.55 171.52 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.238 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.92 132.87 52.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.68 -56.51 0.48 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.574 1.171 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.09 -40.86 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 0.732 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -158.59 89.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -166.44 101.08 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm -83.32 95.52 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.584 ' CD1' HG22 ' A' ' 51' ' ' VAL . 8.2 mm -84.6 128.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.6 m -135.39 131.18 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.2 p -91.26 136.91 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -65.17 123.65 20.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 60.9 mt -80.71 -15.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.5 m-85 -159.01 151.02 20.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.14 143.24 44.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 78.1 t80 -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -117.32 60.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.483 ' N ' ' OG ' ' A' ' 43' ' ' SER . . . 37.63 88.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' B' ' 126' ' ' PRO . 70.5 mt -67.13 -57.14 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.395 1.059 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.639 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -112.26 159.58 18.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -56.16 165.27 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.569 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 57.7 56.47 4.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 4.7 m-20 -158.67 154.96 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.905 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.2 tp -100.6 149.6 23.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.1 m -103.08 142.09 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 17.4 p90 -152.33 -175.07 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 71.3 mt-30 -127.67 156.58 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -62.26 102.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.3 -1.34 9.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.76 147.36 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.36 142.07 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.492 ' SD ' HD13 ' A' ' 73' ' ' ILE . 10.6 mtm -134.36 147.5 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.061 HG23 HD11 ' A' ' 65' ' ' LEU . 46.5 t -94.82 94.85 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.614 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 6.6 t -60.27 118.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 51' ' ' VAL . 8.7 mt -99.73 -53.48 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -118.01 138.92 51.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.523 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -135.16 76.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HB3' ' C ' ' B' ' 119' ' ' ACE . 24.3 t -61.31 -59.63 5.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.097 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -137.16 -102.24 0.61 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HB3' HD21 ' B' ' 125' ' ' LEU . 1.3 mt-10 -87.58 -59.33 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 27.7 m95 -73.74 123.98 25.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.7 m0 -112.91 155.72 24.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -97.86 97.46 8.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.42 161.98 18.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 2.9 tmm_? -109.36 130.48 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -61.71 134.08 56.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.061 HD11 HG23 ' A' ' 51' ' ' VAL . 7.0 mp -89.25 20.67 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.48 -39.2 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.646 1.216 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 2.8 p -128.6 16.12 6.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 46.48 23.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.231 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.905 ' HB3' HD11 ' A' ' 42' ' ' LEU . 48.5 mttt -65.45 171.8 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.612 ' C ' HD13 ' A' ' 42' ' ' LEU . 16.8 mt-10 -143.86 134.69 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.19 165.98 28.42 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.7 m-85 -72.47 138.23 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.492 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -132.3 150.85 77.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.612 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.04 131.72 14.57 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.737 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -75.62 -28.63 58.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.053 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.53 ' HB3' HD22 ' B' ' 125' ' ' LEU . 24.6 p-10 -71.01 -6.74 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.541 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.7 OUTLIER -113.97 8.24 17.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.9 m -130.83 168.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.572 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -153.7 112.09 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.97 138.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -33.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.58 11.84 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -119.79 29.41 7.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.0 mt -100.57 143.52 30.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.79 102.63 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.366 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.547 ' O ' ' CG ' ' B' ' 120' ' ' HIS . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 8.8 m-70 -175.44 124.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 89.0 p -77.85 57.34 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.967 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -69.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -103.3 160.14 27.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo -74.99 53.64 3.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 76' ' ' ASN . 24.8 mt 60.24 149.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.675 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.6 Cg_endo -74.98 166.58 28.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.593 1.838 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.74 6.77 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -61.78 131.8 93.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.541 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -75.0 -165.68 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 15.1 m -123.68 75.39 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.969 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.5 mp 40.46 77.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 145.33 31.22 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.493 1.786 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -122.43 124.74 44.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.27 147.25 18.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 m -165.36 146.23 6.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -177.34 3.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -124.66 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 178.65 6.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.425 1.75 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.38 93.7 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.7 p -174.77 149.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.959 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -174.67 85.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.574 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -143.18 159.49 42.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -143.3 167.53 21.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.96 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -170.69 161.24 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 33.1 p -69.57 148.92 97.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.11 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.522 1.801 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -53.16 -63.54 4.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.118 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLY . 9.7 mt 59.5 153.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.79 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.71 139.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -123.15 159.23 29.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.01 126.07 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -53.01 -50.03 52.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.406 ' C ' ' HG2' ' A' ' 24' ' ' GLU . 0.8 OUTLIER 67.58 -64.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.96 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLY . 3.2 pt-20 -175.03 94.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -157.1 100.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.378 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mm -85.26 97.35 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.677 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.2 mm -86.07 129.02 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 80' ' ' ARG . 32.9 m -135.86 127.75 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.3 p -88.48 137.6 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -66.75 120.73 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' A' ' 79' ' ' ALA . 18.3 mt -73.98 -28.4 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.755 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 4.9 m-85 -142.68 170.4 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.24 135.52 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 57.8 t80 -136.24 141.22 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -132.1 58.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.76 89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' B' ' 126' ' ' PRO . 86.7 mt -67.71 -49.47 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.233 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.608 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -85.6 -153.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -99.94 -56.01 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 109.658 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 1.6 tt0 -85.68 69.34 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.469 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -152.56 157.01 40.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.819 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.6 tp -99.89 154.7 18.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.5 p -109.08 135.31 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -146.47 -179.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 59.1 mt-30 -124.71 155.5 39.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tttt -57.69 107.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.93 -1.53 21.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.04 133.24 35.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 0.723 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -99.26 132.09 44.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.8 mtm -126.92 146.83 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.028 HG23 HD11 ' A' ' 65' ' ' LEU . 41.7 t -93.45 97.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.59 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 6.4 t -62.82 117.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.185 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 51' ' ' VAL . 12.0 mt -97.3 -53.49 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -118.38 140.57 49.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.6 OUTLIER -135.49 83.2 2.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.404 ' H ' ' H1 ' ' B' ' 119' ' ' ACE . 17.4 t -60.31 -63.11 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.69 -80.82 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -97.05 -65.25 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 110.248 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.608 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 28.5 m95 -72.78 131.38 42.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.579 ' HE3' HG21 ' A' ' 52' ' ' VAL . 7.7 m0 -119.49 150.7 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.967 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.6 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -93.8 97.5 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.64 165.8 12.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -113.59 130.76 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 13.8 t -62.97 129.31 39.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.028 HD11 HG23 ' A' ' 51' ' ' VAL . 10.7 mp -85.24 8.17 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.99 -14.48 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.505 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 2.9 p -146.32 16.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 35.23 32.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.819 ' HB3' HD11 ' A' ' 42' ' ' LEU . 61.0 mttt -76.27 -178.32 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -152.19 124.48 8.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.91 28.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.6 m-85 -70.5 131.83 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -126.46 151.64 73.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.639 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.96 137.89 22.42 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.732 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -80.8 -29.15 36.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.188 . . . . 0.0 109.899 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.541 ' HB3' HD13 ' B' ' 125' ' ' LEU . 25.8 p-10 -70.64 -6.83 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.59 7.7 17.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.7 m -131.22 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -154.46 109.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.49 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -36.98 140.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.44 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -86.74 12.31 11.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -118.84 28.69 8.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.92 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 mt -102.15 131.75 48.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -134.4 88.84 2.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.42 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.457 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -162.62 126.79 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.613 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 91.1 p -106.03 86.98 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -112.07 -39.81 4.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -105.83 145.01 30.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo -75.05 53.34 3.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.537 1.809 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 76' ' ' ASN . 26.4 mt 59.1 152.62 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.06 160.96 39.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.68 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.4 mt -49.18 135.15 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.755 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo -75.01 -55.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 39.9 t -172.76 129.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 47.9 tp -133.26 -65.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.771 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mt -113.05 114.39 26.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.76 146.13 4.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -170.24 105.28 0.43 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 110.061 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 176.88 9.32 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.75 88.57 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.429 1.081 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.41 8.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.27 98.01 6.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 m -50.19 111.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -170.62 125.01 0.7 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 t30 179.18 117.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p -175.69 147.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 173.68 153.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.9 p -82.22 147.83 58.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.384 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.75 -53.76 24.55 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.5 mt 60.13 153.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.1 120.89 12.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.3 mp0 -63.14 157.78 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . 179.97 124.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.14 57.16 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.05 -44.62 3.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -150.94 85.92 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.594 1.184 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -161.32 91.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.412 HD12 ' CZ ' ' A' ' 80' ' ' ARG . 14.4 mm -77.35 96.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.479 HG22 ' NE2' ' A' ' 49' ' ' GLN . 8.3 mm -83.35 127.55 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 80' ' ' ARG . 33.7 m -135.25 131.71 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.7 p -91.4 137.47 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.74 117.45 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 27.4 mt -71.86 -37.61 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.786 ' CE2' HD22 ' B' ' 128' ' ' LEU . 1.6 m-85 -135.91 152.58 51.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.77 137.39 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.619 ' HE1' HD12 ' A' ' 37' ' ' ILE . 66.0 t80 -138.1 132.68 32.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.2 mt-10 -126.07 60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.5 87.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.619 HD12 ' HE1' ' A' ' 34' ' ' TYR . 59.2 mt -69.32 -52.56 31.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.627 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.9 p-80 -116.85 155.06 29.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -46.56 170.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.626 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 47.15 66.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.585 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 32.2 m-20 -169.07 148.45 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 69' ' ' LYS . 9.7 tp -96.41 156.64 16.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 p -109.08 138.28 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 18.3 p90 -148.98 -176.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.639 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 35.9 mt-30 -124.92 156.7 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tttm -60.96 108.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.87 -6.72 17.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.481 1.113 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.67 142.3 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.479 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.3 mm-40 -106.66 137.12 45.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.486 ' SD ' HD13 ' A' ' 73' ' ' ILE . 9.3 mtm -130.69 147.13 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 1.008 HG23 HD11 ' A' ' 65' ' ' LEU . 25.4 t -92.43 94.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.639 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 3.1 t -61.04 112.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.517 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.2 mt -94.03 -54.93 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -115.44 145.75 42.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -137.94 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.0 65.59 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.7 -161.71 19.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.397 1.061 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.83 -54.51 41.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 26.1 m95 -75.82 138.03 40.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.549 ' HE3' HG21 ' A' ' 52' ' ' VAL . 8.4 m0 -120.59 152.43 38.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.55 96.74 9.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.93 159.55 22.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 2.1 tmm_? -107.53 127.56 53.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -58.48 138.55 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 1.008 HD11 HG23 ' A' ' 51' ' ' VAL . 11.0 mp -93.07 18.36 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.84 -36.75 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -123.23 10.88 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.374 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 67' ' ' THR . 23.4 ptt180 43.59 26.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.813 ' HB3' HD11 ' A' ' 42' ' ' LEU . 63.1 mttt -72.26 176.22 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.89 124.77 12.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.74 161.27 26.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.0 m-85 -66.8 141.45 57.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.486 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -134.34 152.43 78.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.03 132.66 15.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.668 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.9 t -77.87 -25.72 48.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.645 ' O ' HD21 ' B' ' 128' ' ' LEU . 25.5 p-10 -75.89 -1.53 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -117.37 5.81 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' HA ' ' A' ' 75' ' ' SER . 6.2 m -130.31 168.28 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.72 110.12 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.473 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.06 138.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -32.14 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.14 11.31 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -117.99 30.01 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -102.6 143.04 32.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 42.84 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.42 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 119' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -169.32 125.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.627 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 79.0 p -96.22 74.37 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.19 -50.98 7.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -112.05 155.15 43.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 55.43 3.92 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.588 HD22 ' CB ' ' A' ' 76' ' ' ASN . 21.0 mt 62.67 152.3 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.218 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.527 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.9 166.11 29.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 113.43 3.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.786 HD22 ' CE2' ' A' ' 32' ' ' TYR . 19.3 mt -59.63 135.33 89.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.63 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.0 Cg_endo -74.99 -25.6 11.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.402 ' O ' ' O ' ' B' ' 129' ' ' PRO . 0.7 OUTLIER 52.98 102.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 33.7 mt -63.75 -66.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 165.17 31.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mp -128.0 171.88 11.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.75 168.38 40.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -161.46 97.55 1.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 174.32 12.99 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.28 89.19 1.98 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.89 163.77 34.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -95.98 99.57 11.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -165.14 139.4 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -172.71 168.18 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.635 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -114.91 160.29 19.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 p -151.79 144.95 24.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.907 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.17 142.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 23.6 p -74.58 147.95 85.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.09 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.544 1.812 . . . . 0.0 110.975 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -49.6 -66.28 2.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' GLY . 9.1 mt 58.88 156.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -47.12 138.53 6.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.66 167.15 18.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.33 84.37 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -43.43 -58.97 3.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 166.35 -175.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 110.02 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 71.44 98.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.32 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 23.3 p-10 -123.58 93.96 4.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 mm -99.37 103.56 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.566 ' CD1' HG22 ' A' ' 51' ' ' VAL . 9.1 mm -89.7 122.5 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.6 m -129.22 129.51 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.75 142.68 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -74.89 115.99 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 25.5 mt -72.34 -35.6 68.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.768 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.0 m-85 -135.88 149.52 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.63 136.61 58.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.3 t80 -134.83 127.12 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HA ' ' OG ' ' A' ' 43' ' ' SER . 0.5 OUTLIER -116.76 57.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.473 ' N ' ' OG ' ' A' ' 43' ' ' SER . . . 40.75 79.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' B' ' 126' ' ' PRO . 97.3 mt -55.99 -52.78 45.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.594 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.2 p-80 -114.38 -176.6 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.36 176.27 6.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 43.21 55.88 4.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -153.83 150.92 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.911 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.7 tp -98.23 146.75 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.3 m -100.37 139.63 35.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.8 p90 -152.44 175.44 12.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.602 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 46.9 mt-30 -118.75 158.96 24.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -59.83 109.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.62 -3.47 23.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.33 136.0 42.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 0.804 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -103.47 128.51 50.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.434 ' SD ' HD13 ' A' ' 73' ' ' ILE . 17.0 mtm -124.3 150.3 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.928 HG23 HD11 ' A' ' 65' ' ' LEU . 52.7 t -95.71 93.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.599 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 3.1 t -60.01 113.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 51' ' ' VAL . 10.0 mt -95.02 -54.97 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -115.94 143.58 45.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.494 ' CG ' ' CD1' ' A' ' 60' ' ' TRP . 2.1 tm-20 -137.66 73.23 1.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -66.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.08 -80.66 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.1 mm-40 -91.66 -71.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 0.79 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.721 ' O ' ' H1 ' ' B' ' 119' ' ' ACE . 26.1 m95 -70.11 138.44 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 108.012 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.592 ' HE3' HG21 ' A' ' 52' ' ' VAL . 7.8 m0 -121.33 150.93 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.3 tttt -93.62 97.82 10.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 1.06 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.55 164.45 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.537 ' HD2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -112.09 134.16 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -68.04 132.11 46.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.928 HD11 HG23 ' A' ' 51' ' ' VAL . 6.5 mp -87.35 12.21 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 67' ' ' THR . . . -115.25 -15.29 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.525 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 3.0 p -152.21 20.57 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 36.63 30.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.911 ' HB3' HD11 ' A' ' 42' ' ' LEU . 55.2 mttt -70.6 177.95 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.431 ' C ' HD13 ' A' ' 42' ' ' LEU . 41.9 mt-10 -151.69 127.82 10.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.223 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.03 161.84 25.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.666 ' CD1' ' H2 ' ' B' ' 119' ' ' ACE . 17.9 m-85 -68.25 135.79 52.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.569 HD12 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -130.71 151.62 79.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.738 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.95 135.59 19.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.758 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -81.56 -23.42 37.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.549 ' HB3' HD22 ' B' ' 125' ' ' LEU . 24.9 p-10 -75.33 -7.58 54.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.627 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -111.37 -4.63 14.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.956 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.1 m -113.45 174.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -160.19 106.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -36.64 139.1 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.443 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -66.1 -29.66 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 8.11 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m -123.85 25.36 8.04 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 81' ' ' VAL . 15.4 mt -90.35 156.13 18.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.31 96.99 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.721 ' H1 ' ' O ' ' A' ' 59' ' ' TRP . . . . . . . . 0 C--O 1.23 0.041 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.93 121.58 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 89.9 p -92.99 80.01 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 -50.05 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -104.07 151.77 39.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo -74.97 54.07 3.51 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 76' ' ' ASN . 17.6 mt 59.47 151.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 163.45 35.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.84 6.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.768 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.1 mt -62.09 134.24 94.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo -74.99 -25.42 11.89 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 130' ' ' SER . . . . . 0.411 ' O ' ' N ' ' B' ' 132' ' ' NH2 . 0.1 OUTLIER 56.91 89.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 131' ' ' LEU . . . . . 0.451 ' O ' HD12 ' B' ' 131' ' ' LEU . 1.4 pp -67.45 74.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . 0.411 ' N ' ' O ' ' B' ' 130' ' ' SER . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mp 64.53 174.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.71 139.54 2.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.63 85.15 2.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.25 18.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.456 1.766 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.24 94.24 0.1 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.397 1.061 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.48 22.51 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.416 1.745 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.74 95.31 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 t -58.56 135.44 57.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -136.77 153.43 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.621 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -176.42 108.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.5 p -97.39 137.53 36.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t30 178.43 101.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 82.1 p -53.28 138.47 48.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.01 -162.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.88 -58.67 6.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.4 mt 60.62 150.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -51.37 119.23 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -114.22 157.01 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.43 153.07 48.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.8 -48.87 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.69 -171.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.441 0.73 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 68.71 103.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.593 1.183 . . . . 0.0 110.237 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -159.16 96.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.34 101.1 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.382 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ARG . 5.7 mm -86.72 128.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 80' ' ' ARG . 33.8 m -136.15 132.79 50.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.5 p -92.85 138.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.61 121.25 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 79.8 mt -78.28 -15.52 58.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.2 m-85 -159.28 150.4 19.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 147.99 24.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.619 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.9 t80 -149.71 131.07 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.57 58.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.3 87.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' B' ' 126' ' ' PRO . 88.6 mt -65.04 -56.93 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.228 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.647 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -109.84 158.77 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -55.57 159.1 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.579 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' OE1' ' NE2' ' B' ' 120' ' ' HIS . 0.8 OUTLIER 63.29 57.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 7.2 m-20 -159.59 154.13 24.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.172 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.9 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.6 tp -99.42 153.72 18.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 p -107.1 138.61 42.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 110.099 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 16.0 p90 -146.84 -171.9 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 25.6 mt-30 -130.52 157.68 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -63.74 102.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.69 4.53 10.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -88.48 139.46 30.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' O ' HD13 ' A' ' 65' ' ' LEU . 4.0 mt-30 -103.03 134.47 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.446 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.5 mtm -126.92 148.8 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.987 HG23 HD11 ' A' ' 65' ' ' LEU . 27.1 t -94.24 95.18 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.512 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.7 t -60.47 117.3 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LEU . . . . . 0.539 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.5 mt -99.75 -54.06 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -116.81 141.76 47.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -137.67 80.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.408 ' OG ' ' H1 ' ' B' ' 119' ' ' ACE . 27.3 p -56.89 -46.66 81.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.41 -77.3 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.17 -70.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TRP . . . . . 0.647 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 33.1 m95 -74.0 133.98 43.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.3 m0 -120.16 150.56 40.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -94.19 97.76 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.57 168.36 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.504 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.9 tmm_? -116.69 126.04 52.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.39 131.07 49.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.987 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -86.91 14.07 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.95 -25.86 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 70.3 p -138.08 11.31 2.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 11.5 ptt180 46.52 24.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.9 ' HB3' HD11 ' A' ' 42' ' ' LEU . 56.9 mttt -67.79 177.38 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.481 ' C ' HD13 ' A' ' 42' ' ' LEU . 20.1 mt-10 -149.57 130.45 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.12 170.82 38.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 16.2 m-85 -75.98 137.4 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -132.81 152.41 79.8 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.594 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.713 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.4 t -80.91 -28.45 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 32.3 p-10 -71.75 -6.31 40.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -113.05 6.11 17.49 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -129.47 170.56 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.6 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -158.21 112.13 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.528 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.37 139.55 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -32.57 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.26 12.4 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.1 t -119.04 28.62 8.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.082 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.73 144.47 30.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.11 107.52 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 119' ' ' ACE . . . . . 0.542 ' O ' ' CZ ' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 120' ' ' HIS . . . . . 0.438 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -136.77 -63.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 7.1 p 66.27 53.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -25.0 12.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 123' ' ' TYR . . . . . 0.493 ' HD2' ' CD2' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -121.86 150.13 55.14 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 124' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo -75.0 54.88 3.78 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.599 1.841 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 125' ' ' LEU . . . . . 0.535 HD22 ' CB ' ' A' ' 76' ' ' ASN . 17.0 mt 59.74 152.25 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 126' ' ' PRO . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.02 167.25 27.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.4 6.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.581 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.4 mm? -62.57 131.84 94.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 129' ' ' PRO . . . . . 0.441 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.5 Cg_endo -75.03 -29.76 7.84 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.15 105.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.95 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -31.57 64.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.1 mm -89.9 127.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 80' ' ' ARG . 29.9 m -134.39 132.6 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.9 p -92.06 133.71 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.73 124.13 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 68.5 mt -80.38 -16.54 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.615 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.0 m-85 -159.13 148.08 18.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.79 138.67 52.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.6 t80 -139.91 128.4 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -121.83 60.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.415 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 9.8 m-20 . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.71 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.3 tp -93.3 154.31 18.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 p -108.46 136.68 47.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.7 p90 -145.3 -171.33 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 39.7 mt-30 -129.3 159.09 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -66.25 103.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.94 -4.2 10.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.31 145.37 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 109.271 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -106.86 141.9 37.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.468 ' SD ' HD13 ' A' ' 73' ' ' ILE . 13.0 mtm -132.93 147.71 52.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 27' ' ' ILE . 56.0 t -94.15 93.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.624 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -60.94 119.77 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.24 -52.94 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.986 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.469 ' OE1' HD11 ' B' ' 125' ' ' LEU . 8.4 mm-40 . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.533 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 25.8 m95 -75.36 132.98 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.594 ' HE3' HG21 ' A' ' 52' ' ' VAL . 6.0 m0 -119.9 152.02 38.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 108.028 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -94.64 98.1 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.3 156.35 27.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -104.13 122.44 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 19.5 t -54.04 130.91 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 mt -89.3 22.52 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.99 -37.55 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -125.39 1.22 7.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' SER . 7.0 mtm-85 59.75 24.11 13.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.71 ' HB3' HD11 ' A' ' 42' ' ' LEU . 45.0 mttt -68.89 176.96 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -147.49 121.12 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.4 161.9 30.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 19.9 m-85 -68.56 140.85 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 0.818 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.91 152.08 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.58 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.05 135.27 18.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.417 1.746 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.67 ' HA ' HG22 ' A' ' 78' ' ' VAL . 3.6 t -78.65 -30.11 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.741 ' HB3' HD13 ' B' ' 125' ' ' LEU . 25.4 p-10 -69.8 -7.46 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.36 13.15 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.3 m -138.49 167.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.27 112.22 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.47 137.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -33.06 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.52 12.53 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.0 t . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.451 -0.987 0 N-CA-C 111.043 -0.407 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 76' ' ' ASN . 24.8 mt 59.02 154.3 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.533 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -74.96 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 114.02 3.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.6 mt -54.49 131.13 63.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 4.1 mm . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ARG . 4.7 mm -85.51 129.34 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 80' ' ' ARG . 26.8 m -136.89 133.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.6 p -92.39 134.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -62.7 125.87 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 42.3 mt -81.83 -17.61 46.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.655 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.7 m-85 -157.8 145.88 18.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -56.1 137.45 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 76.2 t80 -137.79 127.65 25.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -118.04 60.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.371 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.524 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -88.87 150.62 22.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.7 p -106.95 146.79 30.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.0 p90 -153.94 -172.35 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.446 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 74.0 mt-30 -128.63 155.01 45.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -62.42 103.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.68 -2.56 12.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -83.75 143.65 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.369 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.05 142.36 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.412 ' SD ' HD13 ' A' ' 73' ' ' ILE . 24.9 mtm -132.21 152.44 51.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 71.5 t -97.94 94.3 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.605 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 8.8 t -61.26 116.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.417 HD23 HG12 ' A' ' 51' ' ' VAL . 12.2 mt -97.91 -52.91 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.338 -0.245 . . . . 0.0 110.338 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.555 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 25.3 m95 -84.36 135.25 34.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 6.2 m0 -121.16 152.87 38.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -95.33 98.08 10.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.19 159.95 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.91 122.88 48.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.36 131.95 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.41 24.74 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.94 -42.0 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -112.45 -15.19 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 72.26 24.59 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.615 ' HB3' HD11 ' A' ' 42' ' ' LEU . 23.1 mttt -74.4 -179.83 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 35.2 mt-10 -148.98 125.71 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.08 167.05 37.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.9 m-85 -73.48 134.98 44.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -128.32 152.24 77.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.506 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.6 Cg_endo -74.94 131.18 14.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.677 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.7 t -75.15 -31.45 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.853 ' HB3' HD13 ' B' ' 125' ' ' LEU . 28.6 p-10 -69.88 -6.23 31.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -113.56 12.06 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.061 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.677 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.5 m -137.52 166.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -152.29 113.71 4.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.601 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -39.66 140.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -34.56 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.04 10.98 14.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.958 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.938 0 N-CA-C 111.015 -0.417 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.4 mt 60.31 153.87 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.555 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 165.48 31.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.655 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.0 mt -51.72 132.88 37.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.598 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mm . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.595 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.5 mm -84.49 128.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.464 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.0 m -134.16 129.5 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -90.25 134.79 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -64.03 124.65 22.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 79' ' ' ALA . 34.8 mt -79.81 -23.81 41.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.693 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.6 m-85 -151.11 149.88 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.433 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 21.0 p-10 -56.77 142.19 41.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.1 t80 -144.42 126.83 15.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -119.78 58.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.442 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 15.7 m-20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.0 tp -92.64 152.75 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.1 p -106.52 143.69 34.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.606 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 12.5 p90 -150.62 -171.56 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.561 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 35.3 mt-30 -128.72 155.79 44.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.433 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.3 tmtt? -64.0 101.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.84 -2.2 10.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 149.98 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -110.74 140.21 45.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.483 ' HA ' HD13 ' A' ' 65' ' ' LEU . 10.7 mtm -132.84 146.48 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.054 HG23 HD11 ' A' ' 65' ' ' LEU . 46.8 t -93.47 96.33 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.569 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 12.0 t -62.0 118.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.512 ' CD2' HG12 ' A' ' 51' ' ' VAL . 8.5 mt -100.66 -53.99 2.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.0 mm-40 . . . . . 0 C--N 1.323 -0.548 0 O-C-N 124.579 1.174 . . . . 0.0 110.33 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.596 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 15.1 m95 -79.32 136.68 37.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 108.078 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.9 m0 -120.28 152.16 38.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 3.1 tttt -93.78 97.19 10.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.0 165.17 13.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.3 tmm_? -113.35 123.94 51.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.237 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.9 t -55.41 132.9 49.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.054 HD11 HG23 ' A' ' 51' ' ' VAL . 10.9 mp -89.57 22.48 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.19 -39.24 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.9 p -116.11 -10.92 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.4 mtt-85 67.58 19.99 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.508 ' HB3' HD11 ' A' ' 42' ' ' LEU . 15.7 mttm -70.43 179.99 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.437 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 23.0 mt-10 -147.99 124.82 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.16 168.55 40.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 22.4 m-85 -74.37 138.93 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.48 151.45 77.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 131.52 14.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.668 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.1 t -76.46 -25.94 54.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.622 ' HB3' HD13 ' B' ' 125' ' ' LEU . 19.6 p-10 -74.31 -3.23 28.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.52 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -117.15 12.87 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' HA ' ' A' ' 75' ' ' SER . 11.5 m -137.93 169.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.47 110.35 3.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.464 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.17 138.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -32.04 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.33 12.56 13.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.958 -179.938 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.884 0 N-CA-C 111.008 -0.42 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.622 HD13 ' HB3' ' A' ' 76' ' ' ASN . 19.9 mt 59.26 153.88 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.596 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.95 165.58 31.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.076 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.41 4.28 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.693 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.0 mt -58.01 131.97 83.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.52 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mm . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.8 mm -85.37 125.3 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.501 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.3 m -132.9 128.62 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.5 p -89.69 134.13 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.5 129.07 39.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 79' ' ' ALA . 26.7 mt -85.31 -21.9 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.709 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.1 m-85 -153.92 144.46 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 7.5 m-20 -52.09 139.09 23.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.63 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.2 t80 -140.55 126.45 19.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -113.2 55.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 69' ' ' LYS . 13.3 tp -89.35 155.96 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 5.9 m -110.96 137.82 48.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 18.3 p90 -148.22 -172.38 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 48.7 mt-30 -129.42 158.86 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 13.5 tmtt? -65.06 101.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.13 -1.4 9.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.92 150.13 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.51 138.69 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.429 ' HA ' HD13 ' A' ' 65' ' ' LEU . 12.6 mtm -131.23 147.63 52.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.982 HG23 HD11 ' A' ' 65' ' ' LEU . 18.2 t -94.07 93.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.565 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.1 t -59.94 114.71 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.523 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.7 mt -96.43 -55.09 3.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 . . . . . 0 N--CA 1.451 -0.381 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.715 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 18.6 m95 -78.41 134.93 37.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 4.2 m0 -122.44 153.48 39.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -94.21 98.42 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.68 162.15 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.7 tmm_? -109.9 124.47 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.419 ' HB2' HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -58.52 134.12 56.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.982 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -90.07 22.38 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.71 -37.52 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -123.77 -1.76 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.68 17.26 8.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.642 ' HB3' HD11 ' A' ' 42' ' ' LEU . 23.0 mtpt -64.96 177.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 31.9 mt-10 -147.62 121.95 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . -175.18 160.76 29.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.9 m-85 -65.98 142.64 57.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -136.73 152.07 73.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 128.52 11.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.609 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.9 t -72.93 -26.01 61.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.914 ' HB3' HD13 ' B' ' 125' ' ' LEU . 15.6 p-10 -74.79 -1.36 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.648 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -119.11 15.28 13.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 75' ' ' SER . 10.1 m -140.49 166.96 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -151.79 110.33 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.37 138.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.41 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.2 12.18 12.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 -179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 110.991 -0.427 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.914 HD13 ' HB3' ' A' ' 76' ' ' ASN . 18.2 mt 57.88 157.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.715 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.709 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.1 mt -48.95 129.63 14.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.648 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 51' ' ' VAL . 4.9 mm -90.67 130.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 80' ' ' ARG . 28.1 m -136.15 134.18 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.6 p -93.43 135.76 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -65.21 119.12 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 66.2 mt -75.35 -16.11 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.67 ' CE2' ' CD1' ' B' ' 128' ' ' LEU . 1.6 m-85 -159.54 149.36 18.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 2.6 m-20 -58.72 140.61 54.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.4 t80 -141.2 132.82 27.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -122.75 57.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 59' ' ' TRP . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.846 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -92.39 152.54 19.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 p -106.83 137.13 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.6 p90 -145.95 -172.64 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 78.7 mt-30 -129.0 158.22 39.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 2.1 tttt -63.69 103.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.06 1.71 12.75 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.88 135.97 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 0.728 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -100.95 136.49 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.448 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.3 mtm -127.59 149.81 50.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 27' ' ' ILE . 66.3 t -94.62 93.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.557 HG21 ' HE3' ' A' ' 60' ' ' TRP . 6.5 t -60.73 118.64 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 51' ' ' VAL . 14.0 mt -99.45 -53.5 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 24.2 mm-40 . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.648 ' OE1' HD11 ' B' ' 125' ' ' LEU . 51.7 mm-40 . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.593 ' CE3' ' OD1' ' A' ' 41' ' ' ASP . 27.4 m95 -79.78 135.98 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.3 m0 -120.74 151.34 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 108.044 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.1 tttt -94.23 97.33 10.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.54 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.41 160.28 20.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -108.74 124.06 49.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.81 128.2 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 65' ' ' LEU . 19.4 mt -85.75 15.51 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.34 -32.9 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 31.2 p -128.93 11.22 6.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.439 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 2.7 ptp180 45.98 27.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.846 ' HB3' HD11 ' A' ' 42' ' ' LEU . 25.1 mttm -70.57 179.11 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -150.81 123.62 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.89 168.69 39.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.4 m-85 -74.74 138.38 42.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 0.743 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.41 151.18 76.98 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.664 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.9 140.26 25.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.767 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -82.03 -31.65 30.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.835 ' HB3' HD13 ' B' ' 125' ' ' LEU . 33.1 p-10 -67.85 -8.56 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.506 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -112.39 8.26 19.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.911 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.767 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.5 m -132.58 167.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.23 110.77 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.587 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -39.14 137.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -33.22 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.87 12.76 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.985 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.936 0 N-CA-C 111.04 -0.408 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.835 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.5 mt 59.08 151.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.99 165.83 30.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 116.96 4.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.2 mm? -56.92 133.36 79.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.506 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.962 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 26' ' ' ILE . 3.6 mm . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.0 mm -78.64 124.46 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.3 m -133.18 127.92 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.71 135.56 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -64.81 122.06 16.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 79' ' ' ALA . 25.8 mt -76.06 -36.03 59.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.727 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.8 m-85 -137.46 158.29 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.05 135.48 55.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.593 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.7 t80 -133.63 131.26 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -121.15 57.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.493 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.888 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -107.7 150.76 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.9 p -102.58 144.11 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 23.8 p90 -156.54 177.15 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.568 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 51.2 mt-30 -121.72 160.0 25.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -60.86 108.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -2.02 22.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.02 134.29 37.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.42 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.2 mt-30 -101.31 128.78 47.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.387 1.054 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.419 ' SD ' HD13 ' A' ' 73' ' ' ILE . 17.1 mtm -122.64 151.59 41.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 56.6 t -97.51 94.12 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.556 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.7 t -60.08 114.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 HG12 ' A' ' 51' ' ' VAL . 9.3 mt -96.0 -53.62 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.303 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 9.0 mm-40 . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.648 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 14.4 m95 -71.13 133.75 46.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 5.1 m0 -121.53 153.74 37.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -94.9 98.42 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.58 159.37 22.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.224 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.6 126.16 52.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -58.56 131.23 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.412 HD23 HH11 ' A' ' 63' ' ' ARG . 20.1 mt -87.46 17.46 4.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.63 -35.21 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 20.3 p -127.94 12.01 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.474 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 1.9 ptp85 46.16 25.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.888 ' HB3' HD11 ' A' ' 42' ' ' LEU . 15.7 mttm -68.78 176.69 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -148.59 126.74 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.32 166.84 35.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.5 m-85 -73.85 138.71 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.43 153.17 79.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.489 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.98 141.12 26.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -85.07 -24.83 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.984 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.481 ' O ' HD21 ' B' ' 128' ' ' LEU . 24.1 p-10 -75.28 -3.32 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.53 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -116.3 11.22 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.641 HG22 ' HA ' ' A' ' 75' ' ' SER . 6.4 m -134.73 169.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.442 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -153.95 108.14 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -36.43 137.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -32.25 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.49 12.57 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.052 -0.403 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.1 mt 59.22 154.09 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.648 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 163.45 35.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.32 4.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.1 mt -55.27 134.68 69.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.678 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 26' ' ' ILE . 4.2 mm . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.596 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.6 mm -82.45 129.62 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.6 m -136.0 128.85 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.7 p -88.36 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -68.78 121.81 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 19.0 mt -77.6 -35.3 52.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.842 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.2 m-85 -137.19 151.5 48.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.96 138.28 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.4 t80 -137.38 134.86 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.1 mt-10 -126.81 58.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.5 tp -97.21 154.22 17.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.5 p -107.83 137.13 46.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -148.62 -178.91 6.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.1 mt-30 -123.56 160.57 26.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 3.2 tttt -62.02 108.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.0 0.7 24.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.59 136.33 36.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.0 132.41 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.481 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.6 mtm -127.46 149.47 50.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.596 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.0 t -96.54 95.0 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 13.0 t -59.86 123.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.484 ' CD2' HG12 ' A' ' 51' ' ' VAL . 8.9 mt -106.3 -53.56 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 110.331 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' B' ' 125' ' ' LEU . 6.6 mm-40 . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.31 -0.255 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.713 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 28.2 m95 -79.91 132.85 36.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 107.969 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.8 m0 -121.71 151.2 40.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -92.77 98.51 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.52 157.22 26.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 4.2 tmm_? -106.43 125.11 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 13.3 t -57.73 132.67 53.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 65' ' ' LEU . 8.8 mt -88.39 18.6 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.84 -36.21 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 10.1 p -127.81 12.01 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.3 OUTLIER 46.53 26.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.795 ' HB3' HD11 ' A' ' 42' ' ' LEU . 56.1 mttt -69.2 176.77 3.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -148.0 124.62 11.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.88 162.8 29.55 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.5 m-85 -69.8 138.52 52.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.79 151.92 77.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.566 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 140.84 25.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.746 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -84.87 -26.65 27.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.569 ' HB3' HD13 ' B' ' 125' ' ' LEU . 28.0 p-10 -73.35 -5.81 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.671 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -113.14 2.58 15.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.746 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.9 m -125.17 169.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -153.03 109.13 3.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.521 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.56 137.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.35 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.05 12.02 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.908 0 N-CA-C 111.054 -0.402 . . . . 0.0 111.054 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 76' ' ' ASN . 28.2 mt 60.53 149.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.713 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 166.32 29.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 119.67 5.76 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.842 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -63.76 133.97 95.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.987 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.437 ' CD1' HG22 ' A' ' 51' ' ' VAL . 7.2 mm -87.76 127.86 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.514 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.9 m -134.79 127.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -87.09 134.57 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -63.9 121.72 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.53 HD21 ' CB ' ' A' ' 79' ' ' ALA . 30.1 mt -76.23 -23.78 54.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.3 m-85 -152.09 150.78 30.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 28.8 p-10 -56.78 143.64 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.1 t80 -144.7 130.27 18.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -122.79 59.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.1 tp -86.66 152.72 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -108.27 138.08 45.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.635 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.3 p90 -145.26 -171.78 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.514 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 50.2 mt-30 -130.31 155.08 46.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.1 tmtt? -62.22 102.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.31 -1.52 10.53 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.47 144.62 28.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -106.94 138.3 43.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.9 mtm -129.84 150.26 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.9 t -95.7 94.17 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.613 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.9 t -61.5 126.87 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' HG12 ' A' ' 51' ' ' VAL . 10.9 mt -108.36 -50.45 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.256 0 N-CA-C 110.264 -0.272 . . . . 0.0 110.264 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.537 ' CZ3' ' HB3' ' A' ' 74' ' ' PRO . 22.0 m95 -70.12 133.57 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.7 m0 -124.09 152.37 42.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 6.2 tttt -93.38 96.68 10.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -114.22 160.89 18.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -110.62 122.75 48.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.45 128.31 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.23 31.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.68 -42.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.5 p -121.4 -4.4 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 68.49 22.76 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.873 ' HB3' HD11 ' A' ' 42' ' ' LEU . 20.1 mttt -74.27 138.98 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 13.8 mt-10 -111.74 134.04 53.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 173.25 162.05 24.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.585 1.178 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.1 m-85 -68.05 146.23 53.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -141.64 152.29 62.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.567 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.93 134.78 18.37 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.45 1.763 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.608 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -79.05 -28.38 43.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.658 ' HB3' HD13 ' B' ' 125' ' ' LEU . 26.1 p-10 -72.45 -5.79 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -113.29 10.5 18.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.6 m -134.41 169.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.53 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -153.83 110.64 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.514 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -38.43 137.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.83 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -86.92 11.53 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.928 0 N-CA-C 110.968 -0.435 . . . . 0.0 110.968 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 76' ' ' ASN . 23.2 mt 60.8 153.53 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.517 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.99 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.591 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.0 mt -54.4 134.06 62.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.1 mm . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.576 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.2 mm -84.06 127.13 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 80' ' ' ARG . 26.8 m -134.19 132.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 1.9 p -91.72 136.71 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.58 116.91 8.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 79' ' ' ALA . 59.6 mt -73.2 -23.12 60.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.899 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.1 m-85 -152.46 148.54 27.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.436 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 34.3 p-10 -55.93 146.98 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.622 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.3 t80 -149.05 124.73 10.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -113.14 55.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.737 HD13 ' C ' ' A' ' 70' ' ' GLU . 13.3 tp -96.36 151.0 19.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 p -105.16 139.8 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.0 p90 -147.3 -171.36 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.622 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 65.7 mt-30 -129.94 157.67 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.231 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -64.87 101.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.27 5.91 9.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 147.45 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.373 0.69 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -108.8 137.46 46.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.462 ' SD ' HD13 ' A' ' 73' ' ' ILE . 9.8 mtm -130.79 148.61 52.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.919 HG23 HD11 ' A' ' 65' ' ' LEU . 56.1 t -95.15 95.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.589 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -61.94 122.13 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.27 -52.04 3.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.988 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.7 mm-40 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.233 -0.284 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 38.7 m95 -69.98 130.24 41.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.564 ' HE3' HG21 ' A' ' 52' ' ' VAL . 9.8 m0 -117.85 152.94 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 107.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.5 tttm -98.01 97.1 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.08 168.13 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.1 tmm_? -116.63 123.77 48.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.8 t -54.63 133.11 46.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.919 HD11 HG23 ' A' ' 51' ' ' VAL . 10.8 mp -90.78 23.65 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.4 -39.31 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 p -122.04 -4.12 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.412 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 64.97 21.32 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.536 ' HB3' HD11 ' A' ' 42' ' ' LEU . 14.7 mttt -70.08 178.06 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.737 ' C ' HD13 ' A' ' 42' ' ' LEU . 19.0 mt-10 -145.19 147.87 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . 159.85 165.14 16.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.567 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.1 m-85 -72.74 139.42 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.635 HD12 HG11 ' A' ' 78' ' ' VAL . 1.1 pt -133.41 151.57 77.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.651 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.01 130.7 13.5 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.672 ' HA ' HG22 ' A' ' 78' ' ' VAL . 4.1 t -75.44 -26.35 58.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.855 ' HB3' HD13 ' B' ' 125' ' ' LEU . 18.4 p-10 -72.98 -5.76 40.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.807 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -114.58 6.18 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.4 m -126.72 171.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -158.43 110.05 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.565 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -38.1 138.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -32.43 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.11 11.83 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.914 0 N-CA-C 111.023 -0.414 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.855 HD13 ' HB3' ' A' ' 76' ' ' ASN . 13.8 mt -40.39 154.99 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.02 163.36 35.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.76 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 117.9 5.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.899 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -56.91 130.93 79.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.678 ' HD3' ' OH ' ' A' ' 77' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.415 ' O ' HG22 ' A' ' 26' ' ' ILE . 3.9 mm . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' NE2' ' A' ' 49' ' ' GLN . 14.0 mm -81.25 122.61 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.6 m -129.43 129.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.2 p -89.22 142.98 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.236 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -74.76 114.61 13.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 77' ' ' TYR . 40.7 mt -70.78 -37.4 73.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.678 ' CE2' HD22 ' B' ' 128' ' ' LEU . 1.5 m-85 -133.8 158.5 43.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.46 138.62 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.6 t80 -137.68 134.78 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.98 56.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.414 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.2 tp -107.19 152.77 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.0 p -105.47 143.45 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.0 p90 -155.69 176.61 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 79.8 mt-30 -120.43 155.29 33.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 4.5 tttt -56.2 109.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.12 -2.14 24.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.48 136.13 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.456 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.3 mm-40 -104.28 127.5 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.557 ' SD ' HD13 ' A' ' 73' ' ' ILE . 10.6 mtm -122.08 151.06 41.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 53.0 t -95.85 94.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.2 t -60.27 119.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CD2' HG12 ' A' ' 51' ' ' VAL . 9.5 mt -102.42 -52.83 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.267 -179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.219 -0.289 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.655 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 17.0 m95 -70.71 134.88 47.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.542 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.5 m0 -121.93 150.86 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.3 tttt -93.35 97.16 10.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.35 159.37 22.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -108.51 126.39 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 2.3 t -57.84 132.32 53.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.409 HD23 HH11 ' A' ' 63' ' ' ARG . 19.4 mt -88.08 19.15 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.22 -38.81 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 24.0 p -124.17 12.26 8.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' THR . 19.8 ptt-85 46.43 24.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.916 ' HB3' HD11 ' A' ' 42' ' ' LEU . 61.4 mttt -66.94 176.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' C ' HD13 ' A' ' 42' ' ' LEU . 31.3 mt-10 -149.25 128.72 13.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.13 169.6 38.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.0 m-85 -77.25 131.6 38.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.632 HD12 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -125.55 151.65 70.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.78 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.99 139.44 24.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.8 t -85.34 -24.14 27.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 110.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.631 ' HB3' HD13 ' B' ' 125' ' ' LEU . 27.6 p-10 -74.12 -8.91 57.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -108.85 -15.35 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -102.97 174.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -159.61 107.75 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -36.0 139.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.24 55.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -87.04 11.96 12.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 76' ' ' ASN . 17.4 mt 59.65 154.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.06 164.03 34.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.678 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.0 mt -62.96 133.16 95.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.451 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.6 mm -85.37 128.56 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.9 m -135.12 131.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.167 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.0 p -90.17 136.24 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.11 116.47 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.4 mt -69.13 -39.7 78.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.821 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.4 m-85 -131.78 164.3 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -71.47 137.8 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.521 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 58.1 t80 -136.26 133.38 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -126.78 60.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.1 m-20 . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.252 -0.648 . . . . 0.0 109.252 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.4 tp -93.9 151.45 19.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -105.42 141.71 36.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 34' ' ' TYR . 22.7 p90 -153.83 -179.38 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 94.1 mt-30 -125.16 155.47 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -56.99 110.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.65 -2.38 24.7 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 134.83 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.79 134.23 42.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.536 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.6 mtm -129.28 147.96 51.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.511 HG12 HD23 ' A' ' 53' ' ' LEU . 54.2 t -93.35 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.4 t -61.82 118.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 51' ' ' VAL . 9.1 mt -98.59 -53.36 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 . . . . . 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.275 -0.269 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.475 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 67.3 m95 -67.85 115.21 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 11.7 m0 -103.22 151.26 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.61 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 12.0 tttm -96.31 99.45 11.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -118.06 167.55 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -118.52 123.24 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 48.0 t -51.77 130.58 29.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.96 21.21 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.51 -38.25 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 p -121.58 0.89 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' SER . 5.9 mtt-85 58.2 21.16 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.767 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.4 mttt -67.26 177.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.684 ' C ' HD13 ' A' ' 42' ' ' LEU . 18.3 mt-10 -146.36 140.84 26.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.66 165.46 23.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.431 1.082 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.61 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.2 m-85 -75.17 131.83 40.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.536 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -124.75 151.97 68.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.637 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.06 136.62 20.52 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.567 1.825 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.659 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -80.02 -29.06 39.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.735 ' HB3' HD13 ' B' ' 125' ' ' LEU . 27.7 p-10 -72.15 -4.32 28.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -114.62 5.98 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.659 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.8 m -128.6 170.32 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -156.23 109.71 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.525 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -37.66 138.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -33.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -86.78 10.65 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.823 0 N-CA-C 110.984 -0.429 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 76' ' ' ASN . 22.6 mt 61.57 155.44 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.475 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.95 165.7 30.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.821 HD22 ' CE2' ' A' ' 32' ' ' TYR . 17.8 mt -59.42 134.68 88.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.741 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.494 HD12 ' CZ ' ' A' ' 80' ' ' ARG . 24.1 mm . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.582 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.6 mm -91.75 129.57 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.0 m -136.22 128.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.52 136.52 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.44 118.27 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -72.96 -34.01 66.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.73 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.2 m-85 -137.56 161.68 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.97 141.49 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.545 ' CB ' ' CZ ' ' A' ' 44' ' ' PHE . 68.1 t80 -141.67 127.42 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -118.32 58.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.6 tp -89.45 151.06 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.8 p -106.31 146.25 30.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 34' ' ' TYR . 23.5 p90 -156.37 -177.53 6.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.628 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 89.0 mt-30 -127.68 161.33 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -62.4 107.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.162 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.54 -2.24 20.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.12 136.23 37.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -102.93 129.98 49.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.516 ' SD ' HD13 ' A' ' 73' ' ' ILE . 12.4 mtm -125.47 147.99 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.987 HG23 HD11 ' A' ' 65' ' ' LEU . 45.9 t -93.97 95.36 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.6 HG21 ' HE3' ' A' ' 60' ' ' TRP . 3.4 t -61.42 118.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 51' ' ' VAL . 10.1 mt -98.59 -54.32 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.1 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' HB3' HD21 ' B' ' 125' ' ' LEU . 1.7 mp0 . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 110.366 -0.235 . . . . 0.0 110.366 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.622 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 37.0 m95 -73.84 134.25 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 107.996 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.6 ' HE3' HG21 ' A' ' 52' ' ' VAL . 13.3 m0 -121.07 153.91 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 107.963 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 8.0 tttm -97.41 97.46 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.88 166.17 12.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.0 tmm_? -115.92 125.05 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.359 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.66 131.64 47.0 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 110.054 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.987 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -89.85 22.12 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.55 -38.18 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.387 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -124.36 -2.35 8.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' SER . 6.8 mtp180 64.56 21.8 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.3 mttm -64.92 177.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.557 ' C ' HD13 ' A' ' 42' ' ' LEU . 28.3 mt-10 -149.82 133.5 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 172.07 172.39 37.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.595 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.5 m-85 -79.29 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.516 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -131.49 152.95 81.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.494 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.1 Cg_endo -75.06 137.94 22.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.679 ' HA ' HG22 ' A' ' 78' ' ' VAL . 12.1 t -82.5 -26.46 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.575 1.172 . . . . 0.0 109.938 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.509 ' CB ' HD22 ' B' ' 125' ' ' LEU . 23.6 p-10 -74.06 -3.55 30.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.576 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -115.12 5.74 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.679 HG22 ' HA ' ' A' ' 75' ' ' SER . 5.3 m -128.79 169.3 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.61 108.73 2.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.494 ' CZ ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -36.4 135.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -32.08 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -86.47 11.26 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 t . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.012 179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.944 0 N-CA-C 111.075 -0.394 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' A' ' 76' ' ' ASN . 14.0 mt 59.52 154.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.08 164.07 33.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.62 6.16 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.73 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -61.81 132.49 93.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mm . . . . . 0 N--CA 1.453 -0.315 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.491 HG22 ' OE1' ' A' ' 49' ' ' GLN . 6.1 mm -87.35 127.09 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.443 HG12 ' HG2' ' A' ' 80' ' ' ARG . 33.7 m -135.19 124.82 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.4 p -86.58 135.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.96 127.69 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 79' ' ' ALA . 46.8 mt -84.45 -16.66 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.8 m-85 -160.19 150.88 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.94 136.6 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 68.5 t80 -136.78 143.69 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -133.2 55.88 1.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.533 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 4.1 m-20 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.4 tp -100.18 152.11 20.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.6 p -106.47 133.64 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.5 p90 -141.79 -170.97 3.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.585 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 63.8 mt-30 -130.66 160.47 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.309 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -65.53 103.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.38 -1.15 12.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.91 137.26 33.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.491 ' OE1' HG22 ' A' ' 27' ' ' ILE . 5.5 mm100 -101.43 140.13 36.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.497 ' HA ' HD13 ' A' ' 65' ' ' LEU . 12.2 mtm -131.91 147.77 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.97 HG23 HD11 ' A' ' 65' ' ' LEU . 11.9 t -93.65 95.23 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.569 HG21 ' HE3' ' A' ' 60' ' ' TRP . 4.4 t -61.28 113.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.504 ' CD2' HG12 ' A' ' 51' ' ' VAL . 11.0 mt -92.59 -55.44 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.939 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 . . . . . 0 N--CA 1.452 -0.366 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.769 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 23.0 m95 -73.05 134.17 44.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.4 m0 -122.24 155.25 36.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 4.1 tttt -96.84 98.95 10.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.23 163.48 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 65' ' ' LEU . 1.1 tmm_? -110.96 123.73 50.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.447 ' HB2' HD21 ' A' ' 42' ' ' LEU . 7.3 t -56.45 130.84 46.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.97 HD11 HG23 ' A' ' 51' ' ' VAL . 11.1 mp -89.15 21.68 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.63 -37.54 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -121.74 -7.28 9.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.569 1.168 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.2 20.14 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.581 ' HB3' HD11 ' A' ' 42' ' ' LEU . 27.8 mttm -68.73 177.21 2.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 122.85 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.35 165.42 36.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.568 1.167 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.1 m-85 -71.59 139.18 49.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.98 152.85 78.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 145.22 31.07 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.626 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -86.85 -28.15 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.769 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 30.3 p-10 -71.59 -4.77 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -115.41 14.47 16.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.626 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -140.03 166.08 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -152.91 107.28 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -36.41 141.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -34.45 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.69 10.62 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.962 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.978 -0.431 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 76' ' ' ASN . 14.4 mt 57.72 156.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.769 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -74.99 166.85 28.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.769 ' CD2' ' ND2' ' A' ' 76' ' ' ASN . 1.8 mm? -64.78 131.52 95.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.451 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.166 0 O-C-N 124.594 1.839 . . . . 0.0 111.026 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.3 mm . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.487 ' CD1' HG22 ' A' ' 51' ' ' VAL . 7.9 mm -86.67 125.02 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 80' ' ' ARG . 29.5 m -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.41 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.3 p -92.54 134.24 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.24 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -62.86 121.06 12.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 79' ' ' ALA . 25.0 mt -74.78 -30.72 61.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.726 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.5 m-85 -141.56 165.03 28.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.16 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 45.6 t80 -139.62 138.86 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -125.87 54.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.44 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.443 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 6.0 m-20 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.1 tp -109.38 154.92 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.4 p -109.07 134.83 51.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.2 p90 -147.72 178.52 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 62.0 mt-30 -123.13 154.36 38.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -56.48 108.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.34 17.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -75.23 141.34 43.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.442 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.2 mm-40 -107.11 131.79 53.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.496 ' HA ' HD13 ' A' ' 65' ' ' LEU . 14.4 mtm -126.05 146.21 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.011 HG23 HD11 ' A' ' 65' ' ' LEU . 42.3 t -91.62 94.5 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.631 HG21 ' HE3' ' A' ' 60' ' ' TRP . 3.3 t -61.92 115.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 51' ' ' VAL . 10.2 mt -95.67 -53.42 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 15.2 mm-40 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.27 -0.27 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.598 ' CH2' ' HD3' ' B' ' 126' ' ' PRO . 22.7 m95 -72.54 132.94 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 107.944 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.631 ' HE3' HG21 ' A' ' 52' ' ' VAL . 8.6 m0 -117.75 151.15 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.2 tttt -94.72 97.73 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.612 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.9 159.24 22.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.6 tmm_? -108.95 123.06 48.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.37 131.92 43.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.011 HD11 HG23 ' A' ' 51' ' ' VAL . 10.9 mp -89.39 21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.21 -37.77 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.4 ' CB ' ' HD2' ' A' ' 69' ' ' LYS . 3.4 p -121.24 -5.53 9.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 63.92 21.42 12.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.534 ' HB3' HD11 ' A' ' 42' ' ' LEU . 18.1 mttt -70.84 179.33 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 21.2 mt-10 -147.6 128.43 14.37 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.12 159.28 24.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 27.7 m-85 -69.63 129.21 39.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -121.78 152.66 59.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.91 132.7 15.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.638 ' HA ' HG22 ' A' ' 78' ' ' VAL . 11.0 t -77.28 -25.04 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.613 ' HB3' HD13 ' B' ' 125' ' ' LEU . 21.6 p-10 -76.81 0.0 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -119.64 11.09 11.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 75' ' ' SER . 16.5 m -134.17 170.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.378 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -156.07 108.93 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.52 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -36.36 141.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -31.74 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.08 10.55 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 180.0 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.929 -0.45 . . . . 0.0 110.929 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 76' ' ' ASN . 17.9 mt 59.55 154.7 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.598 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.07 164.27 33.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.569 1.826 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.59 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -57.77 134.29 82.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 mm . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.416 ' CD1' HG22 ' A' ' 51' ' ' VAL . 6.3 mm -86.3 125.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 80' ' ' ARG . 27.7 m -133.06 128.49 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.364 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -89.07 137.44 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -66.56 122.43 17.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.61 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 55.1 mt -79.31 -17.1 55.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.1 m-85 -158.65 146.68 18.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 149.93 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.625 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 67.7 t80 -152.3 127.69 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -120.89 59.5 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 3.2 m-20 . . . . . 0 N--CA 1.452 -0.334 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.878 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.5 tp -101.31 155.24 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.3 p -108.33 137.96 45.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.054 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.8 p90 -146.73 -171.53 3.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 37.3 mt-30 -130.04 157.57 42.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -64.88 102.18 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.91 10.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.37 148.18 29.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.447 ' O ' HD13 ' A' ' 65' ' ' LEU . 1.3 mt-30 -110.53 135.16 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.4 ' HA ' HD13 ' A' ' 65' ' ' LEU . 11.0 mtm -128.11 148.25 50.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.618 1.199 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.006 HG23 HD11 ' A' ' 65' ' ' LEU . 32.6 t -93.97 95.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.6 t -60.5 119.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.209 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.533 ' CD2' HG12 ' A' ' 51' ' ' VAL . 9.2 mt -102.05 -51.53 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.609 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 13.3 m95 -72.06 136.94 46.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 108.095 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.525 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 5.5 m0 -123.47 154.33 39.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.92 96.89 9.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -113.59 165.17 12.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -114.42 125.79 54.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.21 132.64 54.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.006 HD11 HG23 ' A' ' 51' ' ' VAL . 10.8 mp -88.11 17.41 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.33 -32.61 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 15.0 p -132.07 12.56 4.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.42 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 10.4 ptp180 46.46 24.45 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.878 ' HB3' HD11 ' A' ' 42' ' ' LEU . 52.9 mttt -67.38 176.25 2.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' C ' HD13 ' A' ' 42' ' ' LEU . 45.9 mt-10 -149.54 126.23 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.49 165.22 32.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.0 m-85 -70.35 139.8 52.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.32 152.23 77.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 126.19 9.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.673 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.4 t -72.12 -25.88 61.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.567 ' HB3' HD13 ' B' ' 125' ' ' LEU . 19.1 p-10 -73.73 -6.44 46.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -113.05 9.23 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.6 m -132.18 171.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.577 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -156.83 111.49 2.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.504 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -38.75 141.33 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -68.06 -28.01 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.54 8.82 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.016 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.0 Cg_endo . . . . . 0 N--CA 1.453 -0.862 0 N-CA-C 110.888 -0.466 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 76' ' ' ASN . 22.7 mt 59.33 153.71 0.09 OUTLIER Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.88 165.31 31.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 111.033 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.596 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.6 mt -58.44 131.31 84.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.473 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.584 ' CD1' HG22 ' A' ' 51' ' ' VAL . 8.2 mm -84.6 128.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.6 m -135.39 131.18 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.2 p -91.26 136.91 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -65.17 123.65 20.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 60.9 mt -80.71 -15.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.5 m-85 -159.01 151.02 20.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.14 143.24 44.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 78.1 t80 -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -117.32 60.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.483 ' N ' ' OG ' ' A' ' 43' ' ' SER . . . . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 4.7 m-20 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.905 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.2 tp -100.6 149.6 23.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.1 m -103.08 142.09 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 17.4 p90 -152.33 -175.07 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 71.3 mt-30 -127.67 156.58 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -62.26 102.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.3 -1.34 9.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.76 147.36 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.36 142.07 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.492 ' SD ' HD13 ' A' ' 73' ' ' ILE . 10.6 mtm -134.36 147.5 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.061 HG23 HD11 ' A' ' 65' ' ' LEU . 46.5 t -94.82 94.85 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.614 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 6.6 t -60.27 118.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 51' ' ' VAL . 8.7 mt -99.73 -53.48 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HB3' HD21 ' B' ' 125' ' ' LEU . 1.3 mt-10 . . . . . 0 N--CA 1.454 -0.259 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 27.7 m95 -73.74 123.98 25.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.7 m0 -112.91 155.72 24.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -97.86 97.46 8.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.42 161.98 18.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 2.9 tmm_? -109.36 130.48 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -61.71 134.08 56.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.061 HD11 HG23 ' A' ' 51' ' ' VAL . 7.0 mp -89.25 20.67 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.48 -39.2 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.646 1.216 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 2.8 p -128.6 16.12 6.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 46.48 23.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.231 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.905 ' HB3' HD11 ' A' ' 42' ' ' LEU . 48.5 mttt -65.45 171.8 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.612 ' C ' HD13 ' A' ' 42' ' ' LEU . 16.8 mt-10 -143.86 134.69 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.19 165.98 28.42 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.7 m-85 -72.47 138.23 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.492 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -132.3 150.85 77.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.612 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.04 131.72 14.57 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.737 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -75.62 -28.63 58.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.053 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.53 ' HB3' HD22 ' B' ' 125' ' ' LEU . 24.6 p-10 -71.01 -6.74 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.541 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.7 OUTLIER -113.97 8.24 17.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.9 m -130.83 168.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.572 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -153.7 112.09 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.97 138.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -33.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.58 11.84 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.861 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 76' ' ' ASN . 24.8 mt 60.24 149.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.675 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.6 Cg_endo -74.98 166.58 28.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.593 1.838 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.74 6.77 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -61.78 131.8 93.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.541 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mm . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.677 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.2 mm -86.07 129.02 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 80' ' ' ARG . 32.9 m -135.86 127.75 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.3 p -88.48 137.6 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -66.75 120.73 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' A' ' 79' ' ' ALA . 18.3 mt -73.98 -28.4 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.755 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 4.9 m-85 -142.68 170.4 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.24 135.52 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 57.8 t80 -136.24 141.22 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -132.1 58.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.469 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.819 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.6 tp -99.89 154.7 18.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.5 p -109.08 135.31 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -146.47 -179.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 59.1 mt-30 -124.71 155.5 39.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tttt -57.69 107.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.93 -1.53 21.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.04 133.24 35.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 0.723 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -99.26 132.09 44.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.8 mtm -126.92 146.83 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.028 HG23 HD11 ' A' ' 65' ' ' LEU . 41.7 t -93.45 97.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.59 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 6.4 t -62.82 117.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.185 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 51' ' ' VAL . 12.0 mt -97.3 -53.49 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.248 -0.279 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.524 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 28.5 m95 -72.78 131.38 42.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.579 ' HE3' HG21 ' A' ' 52' ' ' VAL . 7.7 m0 -119.49 150.7 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.967 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.6 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -93.8 97.5 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.64 165.8 12.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -113.59 130.76 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 13.8 t -62.97 129.31 39.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.028 HD11 HG23 ' A' ' 51' ' ' VAL . 10.7 mp -85.24 8.17 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.99 -14.48 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.505 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 2.9 p -146.32 16.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 35.23 32.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.819 ' HB3' HD11 ' A' ' 42' ' ' LEU . 61.0 mttt -76.27 -178.32 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -152.19 124.48 8.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.91 28.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.6 m-85 -70.5 131.83 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -126.46 151.64 73.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.639 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.96 137.89 22.42 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.732 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -80.8 -29.15 36.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.188 . . . . 0.0 109.899 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.541 ' HB3' HD13 ' B' ' 125' ' ' LEU . 25.8 p-10 -70.64 -6.83 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.59 7.7 17.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.7 m -131.22 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.503 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -154.46 109.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.49 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -36.98 140.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.44 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -86.74 12.31 11.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.92 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.885 0 N-CA-C 110.951 -0.442 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 76' ' ' ASN . 26.4 mt 59.1 152.62 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.06 160.96 39.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.68 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.4 mt -49.18 135.15 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.755 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.102 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . 0.412 HD12 ' CZ ' ' A' ' 80' ' ' ARG . 14.4 mm . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.479 HG22 ' NE2' ' A' ' 49' ' ' GLN . 8.3 mm -83.35 127.55 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 80' ' ' ARG . 33.7 m -135.25 131.71 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.7 p -91.4 137.47 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.74 117.45 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 27.4 mt -71.86 -37.61 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.786 ' CE2' HD22 ' B' ' 128' ' ' LEU . 1.6 m-85 -135.91 152.58 51.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.77 137.39 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.475 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 66.0 t80 -138.1 132.68 32.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.2 mt-10 -126.07 60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 32.2 m-20 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 69' ' ' LYS . 9.7 tp -96.41 156.64 16.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 p -109.08 138.28 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 18.3 p90 -148.98 -176.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.639 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 35.9 mt-30 -124.92 156.7 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tttm -60.96 108.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.87 -6.72 17.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.481 1.113 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.67 142.3 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.479 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.3 mm-40 -106.66 137.12 45.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.486 ' SD ' HD13 ' A' ' 73' ' ' ILE . 9.3 mtm -130.69 147.13 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 1.008 HG23 HD11 ' A' ' 65' ' ' LEU . 25.4 t -92.43 94.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.639 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 3.1 t -61.04 112.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.517 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.2 mt -94.03 -54.93 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.329 -0.248 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.527 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 26.1 m95 -75.82 138.03 40.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.549 ' HE3' HG21 ' A' ' 52' ' ' VAL . 8.4 m0 -120.59 152.43 38.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.55 96.74 9.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.93 159.55 22.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 2.1 tmm_? -107.53 127.56 53.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -58.48 138.55 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 1.008 HD11 HG23 ' A' ' 51' ' ' VAL . 11.0 mp -93.07 18.36 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.84 -36.75 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -123.23 10.88 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.374 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 67' ' ' THR . 23.4 ptt180 43.59 26.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.813 ' HB3' HD11 ' A' ' 42' ' ' LEU . 63.1 mttt -72.26 176.22 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.89 124.77 12.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.74 161.27 26.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.0 m-85 -66.8 141.45 57.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.486 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -134.34 152.43 78.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.03 132.66 15.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.668 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.9 t -77.87 -25.72 48.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.645 ' O ' HD21 ' B' ' 128' ' ' LEU . 25.5 p-10 -75.89 -1.53 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -117.37 5.81 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' HA ' ' A' ' 75' ' ' SER . 6.2 m -130.31 168.28 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.72 110.12 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.473 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.06 138.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -32.14 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.14 11.31 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.998 -179.97 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.891 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.588 HD22 ' CB ' ' A' ' 76' ' ' ASN . 21.0 mt 62.67 152.3 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.218 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.527 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.9 166.11 29.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 113.43 3.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.786 HD22 ' CE2' ' A' ' 32' ' ' TYR . 19.3 mt -59.63 135.33 89.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.63 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 mm . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.566 ' CD1' HG22 ' A' ' 51' ' ' VAL . 9.1 mm -89.7 122.5 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.6 m -129.22 129.51 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.75 142.68 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -74.89 115.99 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 25.5 mt -72.34 -35.6 68.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.768 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.0 m-85 -135.88 149.52 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.63 136.61 58.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.3 t80 -134.83 127.12 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HA ' ' OG ' ' A' ' 43' ' ' SER . 0.5 OUTLIER -116.76 57.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.473 ' N ' ' OG ' ' A' ' 43' ' ' SER . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.403 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.911 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.7 tp -98.23 146.75 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.3 m -100.37 139.63 35.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.8 p90 -152.44 175.44 12.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.602 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 46.9 mt-30 -118.75 158.96 24.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -59.83 109.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.62 -3.47 23.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.33 136.0 42.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 0.804 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.47 128.51 50.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.434 ' SD ' HD13 ' A' ' 73' ' ' ILE . 17.0 mtm -124.3 150.3 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.928 HG23 HD11 ' A' ' 65' ' ' LEU . 52.7 t -95.71 93.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.599 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 3.1 t -60.01 113.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 51' ' ' VAL . 10.0 mt -95.02 -54.97 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.1 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.556 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 26.1 m95 -70.11 138.44 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 108.012 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.592 ' HE3' HG21 ' A' ' 52' ' ' VAL . 7.8 m0 -121.33 150.93 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.3 tttt -93.62 97.82 10.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 1.06 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.55 164.45 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.537 ' HD2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -112.09 134.16 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -68.04 132.11 46.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.928 HD11 HG23 ' A' ' 51' ' ' VAL . 6.5 mp -87.35 12.21 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 67' ' ' THR . . . -115.25 -15.29 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.525 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 3.0 p -152.21 20.57 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 36.63 30.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.911 ' HB3' HD11 ' A' ' 42' ' ' LEU . 55.2 mttt -70.6 177.95 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.431 ' C ' HD13 ' A' ' 42' ' ' LEU . 41.9 mt-10 -151.69 127.82 10.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.223 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.03 161.84 25.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.58 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.9 m-85 -68.25 135.79 52.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.569 HD12 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -130.71 151.62 79.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.738 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.95 135.59 19.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.758 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -81.56 -23.42 37.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.549 ' HB3' HD22 ' B' ' 125' ' ' LEU . 24.9 p-10 -75.33 -7.58 54.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.627 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -111.37 -4.63 14.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.956 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.1 m -113.45 174.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -160.19 106.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -36.64 139.1 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.1 -29.66 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 8.11 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.982 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo . . . . . 0 N--CA 1.453 -0.874 0 N-CA-C 111.007 -0.42 . . . . 0.0 111.007 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 76' ' ' ASN . 17.6 mt 59.47 151.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 163.45 35.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.84 6.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.768 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.1 mt -62.09 134.24 94.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.218 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mm . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ARG . 5.7 mm -86.72 128.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 80' ' ' ARG . 33.8 m -136.15 132.79 50.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.5 p -92.85 138.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.61 121.25 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 79.8 mt -78.28 -15.52 58.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.2 m-85 -159.28 150.4 19.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 147.99 24.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.619 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.9 t80 -149.71 131.07 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.57 58.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 7.2 m-20 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.9 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.6 tp -99.42 153.72 18.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 p -107.1 138.61 42.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 110.099 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 16.0 p90 -146.84 -171.9 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 25.6 mt-30 -130.52 157.68 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -63.74 102.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.69 4.53 10.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -88.48 139.46 30.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.482 ' O ' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -103.03 134.47 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.446 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.5 mtm -126.92 148.8 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.987 HG23 HD11 ' A' ' 65' ' ' LEU . 27.1 t -94.24 95.18 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.512 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.7 t -60.47 117.3 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LEU . . . . . 0.539 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.5 mt -99.75 -54.06 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.949 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TRP . . . . . 0.567 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 33.1 m95 -74.0 133.98 43.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.3 m0 -120.16 150.56 40.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -94.19 97.76 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.57 168.36 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.504 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.9 tmm_? -116.69 126.04 52.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.39 131.07 49.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.987 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -86.91 14.07 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.95 -25.86 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 70.3 p -138.08 11.31 2.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 11.5 ptt180 46.52 24.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.9 ' HB3' HD11 ' A' ' 42' ' ' LEU . 56.9 mttt -67.79 177.38 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.481 ' C ' HD13 ' A' ' 42' ' ' LEU . 20.1 mt-10 -149.57 130.45 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.12 170.82 38.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 16.2 m-85 -75.98 137.4 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -132.81 152.41 79.8 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.594 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.713 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.4 t -80.91 -28.45 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 32.3 p-10 -71.75 -6.31 40.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -113.05 6.11 17.49 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -129.47 170.56 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.6 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -158.21 112.13 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.528 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.37 139.55 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -32.57 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.26 12.4 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.082 179.909 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 124' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo . . . . . 0 N--CA 1.455 -0.79 0 N-CA-C 110.977 -0.432 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 125' ' ' LEU . . . . . 0.535 HD22 ' CB ' ' A' ' 76' ' ' ASN . 17.0 mt 59.74 152.25 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 126' ' ' PRO . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.02 167.25 27.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.4 6.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.581 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.4 mm? -62.57 131.84 94.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 129' ' ' PRO . . . . . 0.441 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 177.75 8.18 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.497 1.788 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 58.1 mt -151.29 152.38 33.13 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.447 1.092 . . . . 0.0 109.351 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.04 141.24 7.57 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.4 p -115.72 123.48 31.2 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.49 0.759 . . . . 0.0 109.985 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 174.19 13.2 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.43 1.753 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.49 89.97 0.08 OUTLIER Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.117 . . . . 0.0 110.983 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 176.97 9.2 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.491 1.785 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.93 91.83 3.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.602 1.189 . . . . 0.0 109.237 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 71.8 m -53.28 152.91 4.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.492 1.12 . . . . 0.0 110.085 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -147.97 170.25 18.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 109.543 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 -169.92 163.88 9.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.293 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -142.86 141.3 31.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.012 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 172.94 139.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.191 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.4 p -95.74 146.95 32.22 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.492 1.12 . . . . 0.0 110.369 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.49 1.784 . . . . 0.0 111.008 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -68.19 68.26 0.35 Allowed Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.9 mm -56.39 144.15 8.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.563 0.802 . . . . 0.0 109.315 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -39.28 150.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -102.19 171.27 7.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.439 1.087 . . . . 0.0 110.294 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -178.9 179.39 0.69 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.604 1.19 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 57.1 69.43 1.28 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 24' ' ' GLU . 2.9 m -76.46 -177.42 4.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 0.758 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 23' ' ' SER . 3.2 mm-40 160.82 111.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.252 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -159.92 95.67 1.19 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 1.159 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.427 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm -79.45 101.14 4.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.598 1.186 . . . . 0.0 109.208 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.455 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.1 mm -89.9 127.52 42.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.353 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.583 HG12 ' HA ' ' A' ' 80' ' ' ARG . 29.9 m -134.39 132.6 55.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.412 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.9 p -92.06 133.71 32.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.73 124.13 19.88 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.271 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.589 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 68.5 mt -80.38 -16.54 54.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.231 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.615 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.0 m-85 -159.13 148.08 18.38 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.959 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.79 138.67 52.88 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.6 t80 -139.91 128.4 22.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 111.059 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -121.83 60.54 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 110.282 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . 39.31 89.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.1 mt -69.38 -49.15 62.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.584 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.9 OUTLIER -119.38 166.55 12.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.607 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 26.4 p-80 -54.97 171.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 109.644 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 43.42 68.28 0.53 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.532 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 9.8 m-20 -166.69 144.88 5.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.71 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.3 tp -93.3 154.31 18.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 41.5 p -108.46 136.68 47.68 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 0.0 110.015 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.7 p90 -145.3 -171.33 3.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 39.7 mt-30 -129.3 159.09 37.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.27 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.7 tttt -66.25 103.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.566 1.166 . . . . 0.0 109.285 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.94 -4.2 10.66 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -81.31 145.37 30.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 0.786 . . . . 0.0 109.271 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -106.86 141.9 37.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.507 1.129 . . . . 0.0 110.341 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.468 ' SD ' HD13 ' A' ' 73' ' ' ILE . 13.0 mtm -132.93 147.71 52.28 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 111.062 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 27' ' ' ILE . 56.0 t -94.15 93.36 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 109.311 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.624 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -60.94 119.77 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.248 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.7 mt -100.24 -52.94 3.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -118.85 140.17 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.338 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.517 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.5 tm-20 -133.87 74.08 1.53 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.292 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -52.67 -61.89 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.01 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.79 -93.56 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.404 1.065 . . . . 0.0 110.937 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.469 ' OE1' HD11 ' B' ' 125' ' ' LEU . 8.4 mm-40 -87.85 -61.0 1.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 0.752 . . . . 0.0 110.27 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.584 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 25.8 m95 -75.36 132.98 41.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 108.037 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.594 ' HE3' HG21 ' A' ' 52' ' ' VAL . 6.0 m0 -119.9 152.02 38.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.522 1.139 . . . . 0.0 108.028 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.3 OUTLIER -94.64 98.1 10.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 109.264 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.624 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.3 156.35 27.96 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.453 1.096 . . . . 0.0 109.303 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -104.13 122.44 45.33 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.321 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 19.5 t -54.04 130.91 39.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.995 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 15.9 mt -89.3 22.52 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.99 -37.55 3.08 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.242 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 1.5 p -125.39 1.22 7.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 110.423 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' SER . 7.0 mtm-85 59.75 24.11 13.03 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.468 1.105 . . . . 0.0 110.291 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.71 ' HB3' HD11 ' A' ' 42' ' ' LEU . 45.0 mttt -68.89 176.96 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.453 1.096 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -147.49 121.12 9.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.4 161.9 30.32 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.487 1.117 . . . . 0.0 111.06 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 19.9 m-85 -68.56 140.85 55.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 0.818 . . . . 0.0 111.068 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.478 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.91 152.08 76.71 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.58 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.2 Cg_endo -75.05 135.27 18.77 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.417 1.746 . . . . 0.0 110.946 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.67 ' HA ' HG22 ' A' ' 78' ' ' VAL . 3.6 t -78.65 -30.11 46.13 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.536 1.148 . . . . 0.0 109.943 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.741 ' HB3' HD13 ' B' ' 125' ' ' LEU . 25.4 p-10 -69.8 -7.46 39.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.138 . . . . 0.0 109.297 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.554 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.36 13.15 18.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.67 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.3 m -138.49 167.18 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.523 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.27 112.22 3.51 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.583 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.47 137.29 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 110.304 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.42 -33.06 50.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -87.52 12.53 12.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.0 t -119.1 25.45 10.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.0 mt -98.38 148.49 23.63 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 109.27 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 86' ' ' THR . 2.4 mm-40 -131.99 132.53 43.55 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 110.339 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.418 ' C ' ' O ' ' A' ' 85' ' ' GLU . 63.6 p . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.417 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.59 ' O ' ' CD2' ' B' ' 120' ' ' HIS . . . . . . . . 0 C--O 1.23 0.074 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' B' ' 119' ' ' ACE . 0.8 OUTLIER -178.29 121.79 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.553 . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 83.3 p -98.36 93.19 6.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.9 -44.16 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.525 1.141 . . . . 0.0 109.307 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -109.21 151.19 41.89 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.493 1.121 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo -75.07 53.94 3.52 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.458 1.767 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.741 HD13 ' HB3' ' A' ' 76' ' ' ASN . 24.8 mt 59.02 154.3 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.533 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -74.96 165.46 31.29 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.514 1.797 . . . . 0.0 110.982 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 114.02 3.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.461 1.769 . . . . 0.0 110.976 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.615 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.6 mt -54.49 131.13 63.17 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.563 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo -74.98 -161.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.012 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -73.62 0.53 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.421 1.075 . . . . 0.0 110.016 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.468 ' C ' HD12 ' B' ' 131' ' ' LEU . 4.2 pp -96.64 166.15 11.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.005 0 N-CA-C 111.055 -0.818 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 177.85 8.01 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.508 1.794 . . . . 0.0 111.049 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -175.94 140.95 0.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.256 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.14 149.46 4.99 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.478 1.111 . . . . 0.0 110.999 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -168.13 93.11 0.63 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 0.755 . . . . 0.0 109.971 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 168.42 24.89 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.512 1.796 . . . . 0.0 111.005 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.94 98.45 0.12 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.494 1.121 . . . . 0.0 110.996 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 174.59 12.51 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.426 1.751 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -117.05 95.99 5.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.1 m -44.89 150.8 0.34 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.95 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -160.47 144.05 13.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.1 . . . . 0.0 109.577 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -147.14 110.63 4.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 57.0 p -142.79 128.95 19.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 110.036 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -174.67 122.74 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 109.356 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 34.4 p -59.12 159.7 13.83 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.417 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.394 1.734 . . . . 0.0 110.997 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.4 87.04 0.81 Allowed Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.549 1.156 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mt -96.87 142.79 13.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 109.354 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -128.67 142.78 50.91 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.435 1.084 . . . . 0.0 110.254 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 174.76 176.05 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.324 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 57.65 103.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.36 65.22 0.19 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.487 1.117 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.1 -173.56 0.17 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 0.77 . . . . 0.0 110.007 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.6 mm-40 70.54 87.67 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.267 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 -163.34 102.31 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.425 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 4.1 mm -85.15 98.44 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.466 1.104 . . . . 0.0 109.341 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ARG . 4.7 mm -85.51 129.34 38.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.44 1.087 . . . . 0.0 109.298 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.601 HG12 ' HA ' ' A' ' 80' ' ' ARG . 26.8 m -136.89 133.03 48.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.234 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.6 p -92.39 134.43 30.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -62.7 125.87 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.415 1.072 . . . . 0.0 109.324 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.575 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 42.3 mt -81.83 -17.61 46.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.38 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.655 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.7 m-85 -157.8 145.88 18.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 1.136 . . . . 0.0 111.015 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.42 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 1.0 OUTLIER -56.1 137.45 51.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.308 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.549 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 76.2 t80 -137.79 127.65 25.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.419 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -118.04 60.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.135 . . . . 0.0 110.371 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.65 88.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.537 HD12 ' HB3' ' B' ' 126' ' ' PRO . 85.1 mt -65.37 -53.86 35.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.637 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -109.31 -169.78 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.605 179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.523 ' O ' ' C ' ' A' ' 40' ' ' GLU . 5.9 t60 -75.88 -175.98 3.22 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.625 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.523 ' C ' ' O ' ' A' ' 39' ' ' HIS . 0.4 OUTLIER 28.48 60.45 0.12 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.261 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.524 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -151.52 138.97 19.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.35 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.615 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -88.87 150.62 22.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 83.7 p -106.95 146.79 30.63 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.105 . . . . 0.0 110.029 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.549 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 14.0 p90 -153.94 -172.35 4.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.446 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 74.0 mt-30 -128.63 155.01 45.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.9 OUTLIER -62.42 103.89 0.45 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 109.325 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.68 -2.56 12.15 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 45' ' ' GLN . 0.5 OUTLIER -83.75 143.65 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 0.78 . . . . 0.0 109.369 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -105.05 142.36 34.97 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.44 1.088 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.412 ' SD ' HD13 ' A' ' 73' ' ' ILE . 24.9 mtm -132.21 152.44 51.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.439 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 71.5 t -97.94 94.3 3.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.605 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 8.8 t -61.26 116.07 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.333 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.417 HD23 HG12 ' A' ' 51' ' ' VAL . 12.2 mt -97.91 -52.91 3.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.428 1.08 . . . . 0.0 109.268 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -119.66 141.1 49.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 110.321 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.486 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.6 tm-20 -140.44 75.85 1.53 Allowed 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.451 1.095 . . . . 0.0 110.294 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.452 ' H ' ' H1 ' ' B' ' 119' ' ' ACE . 18.2 m -72.25 -55.92 6.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.42 ' O ' ' NE1' ' A' ' 60' ' ' TRP . . . -124.85 -144.74 6.41 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.384 1.053 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -59.75 -44.0 94.03 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.414 0.714 . . . . 0.0 110.338 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.637 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 25.3 m95 -84.36 135.25 34.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.122 . . . . 0.0 108.025 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.551 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 6.2 m0 -121.16 152.87 38.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 107.965 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -95.33 98.08 10.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.605 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.19 159.95 21.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.277 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.463 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.91 122.88 48.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.441 1.088 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.36 131.95 33.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.543 1.152 . . . . 0.0 110.027 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 16.0 mt -90.41 24.74 2.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -125.94 -42.0 1.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.145 . . . . 0.0 109.374 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 43.9 p -112.45 -15.19 13.15 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 110.44 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 72.26 24.59 3.04 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.615 ' HB3' HD11 ' A' ' 42' ' ' LEU . 23.1 mttt -74.4 -179.83 4.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.414 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 35.2 mt-10 -148.98 125.71 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.08 167.05 37.0 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 17.9 m-85 -73.48 134.98 44.04 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.431 0.724 . . . . 0.0 110.973 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -128.32 152.24 77.73 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.307 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.506 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.6 Cg_endo -74.94 131.18 14.07 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.535 1.808 . . . . 0.0 111.053 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.677 ' HA ' HG22 ' A' ' 78' ' ' VAL . 5.7 t -75.15 -31.45 61.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.853 ' HB3' HD13 ' B' ' 125' ' ' LEU . 28.6 p-10 -69.88 -6.23 31.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.503 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -113.56 12.06 18.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.061 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.677 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.5 m -137.52 166.03 25.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.441 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -152.29 113.71 4.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.467 1.104 . . . . 0.0 109.354 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.601 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -39.66 140.72 0.47 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -63.81 -34.56 68.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.04 10.98 14.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.32 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.4 t -117.8 28.96 8.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.175 . . . . 0.0 109.958 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -100.79 161.09 13.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 65.48 82.92 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 110.246 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 73.1 p . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 110.453 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.452 ' H1 ' ' H ' ' A' ' 56' ' ' SER . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.09 121.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.622 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . 0.501 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 81.6 p -51.63 -76.11 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 110.027 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . 0.448 ' N ' ' OG ' ' B' ' 121' ' ' SER . 0.2 OUTLIER 72.39 -80.63 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.143 . . . . 0.0 109.26 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -108.21 157.59 35.9 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 55.14 3.87 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.475 1.776 . . . . 0.0 111.015 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.853 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.4 mt 60.31 153.87 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.555 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 165.48 31.18 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.492 1.785 . . . . 0.0 111.002 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 110.48 3.12 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.487 1.783 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.655 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.0 mt -51.72 132.88 37.06 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.598 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.3 Cg_endo -75.02 -67.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 53.6 p -175.52 120.9 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.439 1.087 . . . . 0.0 110.023 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 52.8 tp -96.51 134.98 39.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.289 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.15 13.01 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -131.3 138.83 49.42 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 79.51 124.67 0.47 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.507 1.129 . . . . 0.0 110.973 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -136.65 98.63 10.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.52 0.776 . . . . 0.0 109.984 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 108.04 2.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.472 1.774 . . . . 0.0 111.004 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.83 83.98 0.19 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.466 1.104 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.07 166.64 28.7 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.477 1.778 . . . . 0.0 110.937 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -90.73 101.82 14.57 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.448 1.093 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.2 m -43.99 163.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.986 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.8 p80 -146.97 94.86 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.588 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -177.14 142.74 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.5 p -160.65 137.26 8.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.991 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 176.94 119.47 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.55 1.156 . . . . 0.0 109.185 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.441 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 1.3 p -66.06 146.48 99.01 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 110.377 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -74.97 -162.07 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.533 1.807 . . . . 0.0 110.978 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.12 68.19 1.12 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.062 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.1 mt -54.26 144.7 4.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 0.766 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 19.3 ptt-85 -84.49 170.89 13.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -105.16 170.86 7.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.575 1.172 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.36 176.86 10.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.102 . . . . 0.0 109.308 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.81 -70.65 0.3 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.57 1.169 . . . . 0.0 110.99 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 175.55 -172.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.993 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 68.4 96.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.597 1.186 . . . . 0.0 110.28 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -163.93 98.78 0.86 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.13 . . . . 0.0 109.254 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.6 mm -82.18 94.25 2.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 109.299 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.595 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.5 mm -84.49 128.1 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.464 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.0 m -134.16 129.5 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 109.336 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.454 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -90.25 134.79 28.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.507 1.129 . . . . 0.0 109.271 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.561 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -64.03 124.65 22.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.273 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' A' ' 79' ' ' ALA . 34.8 mt -79.81 -23.81 41.82 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.693 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.6 m-85 -151.11 149.88 30.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.433 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 21.0 p-10 -56.77 142.19 41.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.232 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.606 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.1 t80 -144.42 126.83 15.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -119.78 58.75 0.89 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . 39.79 85.1 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.408 1.068 . . . . 0.0 109.299 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.462 HD12 ' HE1' ' A' ' 34' ' ' TYR . 83.7 mt -64.63 -51.91 61.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 109.21 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.649 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 2.0 p-80 -115.93 159.83 21.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.171 . . . . 0.0 109.57 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -55.07 166.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 0.0 109.629 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 53.61 58.85 4.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.124 . . . . 0.0 110.274 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.592 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 15.7 m-20 -162.67 145.67 11.04 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.159 . . . . 0.0 109.315 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.508 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.0 tp -92.64 152.75 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.1 p -106.52 143.69 34.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 109.967 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.606 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 12.5 p90 -150.62 -171.56 3.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 111.006 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.561 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 35.3 mt-30 -128.72 155.79 44.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.433 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.3 tmtt? -64.0 101.59 0.41 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.5 1.125 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.84 -2.2 10.02 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.999 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.34 149.98 27.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 0.788 . . . . 0.0 109.279 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mm-40 -110.74 140.21 45.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.278 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.483 ' HA ' HD13 ' A' ' 65' ' ' LEU . 10.7 mtm -132.84 146.48 51.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.054 HG23 HD11 ' A' ' 65' ' ' LEU . 46.8 t -93.47 96.33 6.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.569 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 12.0 t -62.0 118.74 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.512 ' CD2' HG12 ' A' ' 51' ' ' VAL . 8.5 mt -100.66 -53.99 2.94 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.405 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.0 mm-40 -113.16 128.69 56.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.579 1.174 . . . . 0.0 110.33 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.556 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -139.5 76.16 1.55 Allowed 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.426 1.079 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.4 p -92.99 -40.31 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 109.94 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.417 ' O ' ' NE1' ' A' ' 60' ' ' TRP . . . -122.55 -158.54 10.29 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.47 1.106 . . . . 0.0 111.046 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -57.12 -53.81 53.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.445 0.733 . . . . 0.0 110.3 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.649 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 15.1 m95 -79.32 136.68 37.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.589 1.181 . . . . 0.0 108.078 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.9 m0 -120.28 152.16 38.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 108.019 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.585 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 3.1 tttt -93.78 97.19 10.25 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 109.255 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.569 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.0 165.17 13.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.557 1.16 . . . . 0.0 109.273 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.545 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.3 tmm_? -113.35 123.94 51.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.455 1.097 . . . . 0.0 110.237 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.9 t -55.41 132.9 49.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.959 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.054 HD11 HG23 ' A' ' 51' ' ' VAL . 10.9 mp -89.57 22.48 2.99 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -123.19 -39.24 2.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.401 1.063 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 47.9 p -116.11 -10.92 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 110.352 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 36.4 mtt-85 67.58 19.99 9.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.312 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.508 ' HB3' HD11 ' A' ' 42' ' ' LEU . 15.7 mttm -70.43 179.99 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.374 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.437 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 23.0 mt-10 -147.99 124.82 11.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.262 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -176.16 168.55 40.79 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.105 . . . . 0.0 110.989 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.585 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 22.4 m-85 -74.37 138.93 43.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.454 0.737 . . . . 0.0 110.96 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.47 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.48 151.45 77.39 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.606 1.191 . . . . 0.0 109.303 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.88 131.52 14.54 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.095 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.668 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.1 t -76.46 -25.94 54.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.155 . . . . 0.0 110.009 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.622 ' HB3' HD13 ' B' ' 125' ' ' LEU . 19.6 p-10 -74.31 -3.23 28.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 109.283 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.52 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -117.15 12.87 14.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 111.047 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' HA ' ' A' ' 75' ' ' SER . 11.5 m -137.93 169.38 18.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.493 1.12 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.47 110.35 3.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 109.344 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.464 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.17 138.36 0.3 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.439 1.087 . . . . 0.0 110.313 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.84 -32.04 48.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -88.33 12.56 13.73 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.285 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.0 t -118.7 28.85 8.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 109.958 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -103.26 159.83 15.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 61.61 82.76 0.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.161 . . . . 0.0 110.403 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 110.317 -179.901 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.436 ' O ' ' CG ' ' B' ' 120' ' ' HIS . . . . . . . . 0 C--O 1.23 0.042 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.436 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 0.5 OUTLIER 175.78 129.07 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.568 1.168 . . . . 0.0 109.628 . . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . 0.521 ' O ' ' CD1' ' A' ' 59' ' ' TRP . 7.1 t -55.66 -67.51 0.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.496 1.122 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 69.13 -69.19 0.16 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.298 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . 0.42 ' N ' ' O ' ' B' ' 121' ' ' SER . 8.5 m-85 -121.83 159.74 49.88 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.406 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo -74.9 53.44 3.29 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.622 HD13 ' HB3' ' A' ' 76' ' ' ASN . 19.9 mt 59.26 153.88 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.147 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.596 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.95 165.58 31.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.519 1.799 . . . . 0.0 111.076 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 115.41 4.28 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.489 1.784 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.693 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.0 mt -58.01 131.97 83.56 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.52 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -74.99 -161.74 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.464 1.771 . . . . 0.0 111.027 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.27 83.48 2.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 109.958 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.46 -174.23 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 145.51 31.3 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.469 1.773 . . . . 0.0 110.943 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -92.41 -67.62 0.85 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.59 1.181 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.24 163.92 23.75 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.4 m -154.12 129.46 5.1 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.548 0.793 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 -176.26 2.8 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.425 1.75 . . . . 0.0 111.041 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.45 110.2 0.23 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 110.962 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 179.49 6.04 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.495 1.787 . . . . 0.0 110.963 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -122.02 94.86 4.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 75.7 m -48.05 157.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.432 1.082 . . . . 0.0 110.067 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.6 p-80 -171.69 167.04 6.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.569 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -172.82 155.69 3.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.9 m -167.72 148.12 5.18 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.465 1.103 . . . . 0.0 110.019 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.3 t30 -167.57 149.95 5.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 109.274 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.433 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 47.2 p -72.36 147.83 90.43 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.38 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.433 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.4 Cg_endo -74.94 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.476 1.777 . . . . 0.0 111.011 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.88 80.09 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.554 1.159 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.9 mt -86.14 148.54 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.399 0.706 . . . . 0.0 109.332 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -128.75 150.74 50.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.264 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -155.59 167.92 28.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.594 1.184 . . . . 0.0 110.221 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -83.99 127.16 33.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 109.306 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.08 -49.9 0.23 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.496 1.122 . . . . 0.0 110.928 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -58.05 -171.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 69.24 99.05 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -160.83 95.54 1.08 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.4 mm -79.11 99.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.517 1.135 . . . . 0.0 109.334 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.8 mm -85.37 125.3 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.501 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.3 m -132.9 128.62 57.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.448 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.5 p -89.69 134.13 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.5 129.07 39.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.475 1.109 . . . . 0.0 109.27 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.507 HD21 ' CB ' ' A' ' 79' ' ' ALA . 26.7 mt -85.31 -21.9 28.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.559 1.162 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.709 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.1 m-85 -153.92 144.46 22.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 110.942 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.424 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 7.5 m-20 -52.09 139.09 23.99 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.507 1.129 . . . . 0.0 109.329 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.63 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.2 t80 -140.55 126.45 19.42 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 111.013 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -113.2 55.02 0.71 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.274 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.528 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.41 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.59 HD12 ' HB3' ' B' ' 126' ' ' PRO . 74.9 mt -67.16 -56.4 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.653 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -78.28 -170.88 2.17 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.566 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 19.7 p-80 -85.44 -52.94 5.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 109.622 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.501 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 2.9 pt-20 -89.68 68.43 7.6 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.117 . . . . 0.0 110.33 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.425 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -151.94 148.27 27.55 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.533 1.145 . . . . 0.0 109.25 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.642 HD11 ' HB3' ' A' ' 69' ' ' LYS . 13.3 tp -89.35 155.96 19.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.514 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 5.9 m -110.96 137.82 48.13 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.44 1.087 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.63 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 18.3 p90 -148.22 -172.38 4.06 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.977 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.592 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 48.7 mt-30 -129.42 158.86 37.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 110.272 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 13.5 tmtt? -65.06 101.85 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 109.293 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.13 -1.4 9.78 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.558 1.161 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -82.92 150.13 26.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 0.75 . . . . 0.0 109.332 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -111.51 138.69 47.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 110.257 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.429 ' HA ' HD13 ' A' ' 65' ' ' LEU . 12.6 mtm -131.23 147.63 52.61 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.457 1.098 . . . . 0.0 110.986 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.982 HG23 HD11 ' A' ' 65' ' ' LEU . 18.2 t -94.07 93.76 4.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.461 1.1 . . . . 0.0 109.324 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.565 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.1 t -59.94 114.71 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.523 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.7 mt -96.43 -55.09 3.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.3 mt-10 -116.47 133.96 55.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.435 1.084 . . . . 0.0 110.308 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.507 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.7 tm-20 -138.37 78.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.292 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.34 58.21 0.65 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.527 1.142 . . . . 0.0 110.058 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.93 -143.59 14.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.534 1.146 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -77.97 -55.71 5.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.3 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.715 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 18.6 m95 -78.41 134.93 37.34 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.549 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 4.2 m0 -122.44 153.48 39.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 107.958 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -94.21 98.42 10.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.565 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.68 162.15 18.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.09 . . . . 0.0 109.334 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.454 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.7 tmm_? -109.9 124.47 51.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.108 . . . . 0.0 110.305 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.419 ' HB2' HD21 ' A' ' 42' ' ' LEU . 0.1 OUTLIER -58.52 134.12 56.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.984 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.982 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -90.07 22.38 3.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.71 -37.52 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.467 1.104 . . . . 0.0 109.288 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 29.5 p -123.77 -1.76 8.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.516 1.135 . . . . 0.0 110.413 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 61.68 17.26 8.51 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 110.236 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.642 ' HB3' HD11 ' A' ' 42' ' ' LEU . 23.0 mtpt -64.96 177.62 0.95 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.315 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 31.9 mt-10 -147.62 121.95 9.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.598 1.186 . . . . 0.0 110.29 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.421 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . -175.18 160.76 29.69 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.552 1.157 . . . . 0.0 110.889 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.675 ' CD1' ' H2 ' ' B' ' 119' ' ' ACE . 24.9 m-85 -65.98 142.64 57.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.769 . . . . 0.0 110.952 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -136.73 152.07 73.71 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.549 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 128.52 11.54 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.002 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.609 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.9 t -72.93 -26.01 61.24 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.008 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.914 ' HB3' HD13 ' B' ' 125' ' ' LEU . 15.6 p-10 -74.79 -1.36 21.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.248 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.648 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -119.11 15.28 13.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 110.972 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.609 HG22 ' HA ' ' A' ' 75' ' ' SER . 10.1 m -140.49 166.96 18.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -151.79 110.33 3.79 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.258 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.501 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.37 138.22 0.34 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.577 1.173 . . . . 0.0 110.352 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.41 50.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.45 1.094 . . . . 0.0 109.347 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.2 12.18 12.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.4 t -119.84 28.49 8.09 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.562 1.164 . . . . 0.0 110.043 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.7 mt -100.68 164.68 11.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 63.76 121.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.2 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 110.419 -179.961 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.675 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.035 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.492 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 3.0 m170 -174.99 134.9 0.35 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.621 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 58.3 p -99.54 86.27 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.004 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.8 ptpt -103.24 -36.94 7.9 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -112.34 153.16 44.88 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 111.065 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.422 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo -75.02 48.14 1.93 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.488 1.783 . . . . 0.0 110.991 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.914 HD13 ' HB3' ' A' ' 76' ' ' ASN . 18.2 mt 57.88 157.12 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.715 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -75.01 163.0 36.19 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.458 1.767 . . . . 0.0 111.063 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 108.33 2.69 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.47 1.774 . . . . 0.0 110.992 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.709 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.1 mt -48.95 129.63 14.9 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.648 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -74.94 -26.68 10.81 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.985 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' B' ' 129' ' ' PRO . 1.4 t 84.78 -57.04 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.027 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.551 HD12 ' N ' ' B' ' 132' ' ' NH2 . 4.4 pp -74.57 -45.75 43.33 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 1.09 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . 0.551 ' N ' HD12 ' B' ' 131' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.542 1.152 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 137.97 22.41 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.542 1.812 . . . . 0.0 110.942 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -167.4 151.72 6.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.54 167.03 11.05 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.49 1.119 . . . . 0.0 110.972 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -168.64 101.85 0.52 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.508 0.769 . . . . 0.0 109.978 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 160.46 40.23 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.488 1.783 . . . . 0.0 110.999 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 153.61 86.84 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.539 1.149 . . . . 0.0 110.985 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 170.43 20.43 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.821 . . . . 0.0 111.02 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -80.13 95.6 6.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 109.253 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 27.0 t -55.74 114.8 2.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.921 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -172.07 162.32 5.79 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.463 1.102 . . . . 0.0 109.59 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 12.7 t30 174.46 150.18 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.576 1.172 . . . . 0.0 109.292 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 66.7 m -151.61 145.19 24.93 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.572 1.17 . . . . 0.0 109.958 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -179.86 148.87 0.33 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.58 1.175 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 31.8 p -41.87 158.32 0.2 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -162.17 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.491 1.785 . . . . 0.0 110.962 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -50.13 -75.08 0.22 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.549 1.156 . . . . 0.0 111.019 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.402 ' O ' ' O ' ' A' ' 17' ' ' GLY . 11.1 mt 60.77 147.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.521 0.777 . . . . 0.0 109.257 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.31 123.17 10.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 174.6 170.71 0.24 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.258 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 63.57 137.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.7 57.94 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.66 -171.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 0.771 . . . . 0.0 110.01 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.9 mt-10 67.03 93.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.477 1.111 . . . . 0.0 110.351 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 67.4 m-20 -164.05 99.96 0.86 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.3 mm -81.66 101.03 6.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.285 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 51' ' ' VAL . 4.9 mm -90.67 130.21 40.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.102 . . . . 0.0 109.254 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.587 HG12 ' HA ' ' A' ' 80' ' ' ARG . 28.1 m -136.15 134.18 50.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.6 p -93.43 135.76 27.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.559 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -65.21 119.12 10.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.262 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.616 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 66.2 mt -75.35 -16.11 60.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.67 ' CE2' ' CD1' ' B' ' 128' ' ' LEU . 1.6 m-85 -159.54 149.36 18.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 110.976 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.407 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 2.6 m-20 -58.72 140.61 54.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.115 . . . . 0.0 109.344 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.551 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 75.4 t80 -141.2 132.82 27.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.474 1.109 . . . . 0.0 111.012 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.412 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -122.75 57.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 110.279 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.498 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.18 82.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 0.0 109.312 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.544 HD12 ' HE1' ' A' ' 34' ' ' TYR . 93.8 mt -59.0 -51.39 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.608 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.9 p-80 -116.52 167.43 11.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 109.594 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -61.5 167.3 3.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.484 1.115 . . . . 0.0 109.617 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 54.47 53.31 10.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.593 ' OD1' ' CE3' ' A' ' 59' ' ' TRP . 0.4 OUTLIER -156.93 146.03 20.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.393 1.058 . . . . 0.0 109.272 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.846 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -92.39 152.54 19.68 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.31 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.7 p -106.83 137.13 45.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.99 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.551 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.6 p90 -145.95 -172.64 3.96 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.559 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 78.7 mt-30 -129.0 158.22 39.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.125 . . . . 0.0 110.273 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 2.1 tttt -63.69 103.59 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.06 1.71 12.75 Favored Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.452 1.095 . . . . 0.0 111.022 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -86.88 135.97 33.13 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.437 0.728 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -100.95 136.49 40.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.308 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.448 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.3 mtm -127.59 149.81 50.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.985 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 27' ' ' ILE . 66.3 t -94.62 93.87 4.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.369 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.557 HG21 ' HE3' ' A' ' 60' ' ' TRP . 6.5 t -60.73 118.64 3.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.125 . . . . 0.0 109.314 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.419 HD23 HG12 ' A' ' 51' ' ' VAL . 14.0 mt -99.45 -53.5 3.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.352 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.403 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 24.2 mm-40 -118.31 143.15 46.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.419 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.6 OUTLIER -134.5 88.52 2.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.326 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 91.2 p -59.39 -67.82 0.34 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 110.054 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.39 -60.99 0.01 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.648 ' OE1' HD11 ' B' ' 125' ' ' LEU . 51.7 mm-40 -108.03 -63.9 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 0.783 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.608 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 27.4 m95 -79.78 135.98 36.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 107.967 -1.123 . . . . 0.0 107.967 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.568 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.3 m0 -120.74 151.34 39.68 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 108.044 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.586 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.1 tttt -94.23 97.33 10.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.54 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.41 160.28 20.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -108.74 124.06 49.98 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.531 1.144 . . . . 0.0 110.274 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.81 128.2 33.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.566 1.166 . . . . 0.0 109.971 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.426 HD23 ' HA ' ' A' ' 65' ' ' LEU . 19.4 mt -85.75 15.51 4.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.533 1.146 . . . . 0.0 109.262 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.34 -32.9 4.8 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 31.2 p -128.93 11.22 6.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 110.439 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 2.7 ptp180 45.98 27.79 0.54 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.351 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.846 ' HB3' HD11 ' A' ' 42' ' ' LEU . 25.1 mttm -70.57 179.11 2.68 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.332 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 50.4 mt-10 -150.81 123.62 8.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.308 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.89 168.69 39.15 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.586 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.4 m-85 -74.74 138.38 42.68 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.464 0.743 . . . . 0.0 110.963 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.482 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.41 151.18 76.98 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.464 1.102 . . . . 0.0 109.33 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.664 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.9 140.26 25.54 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 111.073 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.767 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -82.03 -31.65 30.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.947 -179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.835 ' HB3' HD13 ' B' ' 125' ' ' LEU . 33.1 p-10 -67.85 -8.56 37.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.506 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -112.39 8.26 19.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.911 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.767 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.5 m -132.58 167.17 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.54 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -154.23 110.77 3.31 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 1.09 . . . . 0.0 109.363 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.587 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -39.14 137.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.29 -179.949 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.48 -33.22 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.3 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -86.87 12.76 10.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.3 t -119.98 27.15 8.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 15.4 mt -99.51 156.54 16.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 58.67 99.17 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.103 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.7 t . . . . . 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 110.406 179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.419 ' CH3' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.05 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -147.31 -49.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 109.62 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.66 67.69 0.75 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.957 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.82 -28.5 9.15 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -113.52 149.23 41.29 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.988 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.433 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo -75.03 52.97 3.21 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.461 1.769 . . . . 0.0 111.04 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.835 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.5 mt 59.08 151.43 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.532 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.99 165.83 30.5 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.556 1.819 . . . . 0.0 110.951 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 116.96 4.72 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.522 1.801 . . . . 0.0 111.017 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.67 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.2 mm? -56.92 133.36 79.68 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.322 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.506 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.4 Cg_endo -75.02 -33.37 4.61 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.474 1.776 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.77 ' C ' HD23 ' B' ' 131' ' ' LEU . 9.9 t 61.98 54.0 2.9 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.021 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.77 HD23 ' C ' ' B' ' 130' ' ' SER . 0.9 OUTLIER 40.65 87.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' HD12 ' A' ' 3' ' ' LEU . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -51.63 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.512 1.796 . . . . 0.0 110.963 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.452 HD12 ' O ' ' A' ' 1' ' ' GLY . 3.0 mp 66.48 154.66 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.91 132.32 2.2 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 111.088 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -131.36 140.75 39.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.535 0.785 . . . . 0.0 110.027 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -178.31 4.08 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.487 1.783 . . . . 0.0 111.037 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.25 93.21 0.09 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.443 1.09 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -178.71 4.37 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.535 1.808 . . . . 0.0 110.983 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -56.14 -56.95 14.7 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.7 m 62.82 127.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -153.74 148.06 25.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.613 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 174.71 154.9 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.352 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.3 p -173.34 137.0 0.64 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.014 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -178.67 152.37 0.62 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.434 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 11.5 p -79.82 136.82 54.5 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.13 . . . . 0.0 110.355 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.434 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.6 Cg_endo -75.01 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.514 1.797 . . . . 0.0 111.003 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -77.58 74.87 1.89 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.3 mt -81.73 144.06 11.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.486 0.756 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -66.97 122.6 18.09 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.312 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 176.52 163.03 0.41 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.253 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 64.9 132.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.321 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.03 56.9 0.09 OUTLIER Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.468 1.105 . . . . 0.0 111.036 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -40.11 -46.87 2.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.397 0.704 . . . . 0.0 110.045 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -177.9 99.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 110.299 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -142.15 100.36 3.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.103 . . . . 0.0 109.319 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.505 HG22 ' O ' ' A' ' 26' ' ' ILE . 3.6 mm -95.74 93.92 3.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.424 1.078 . . . . 0.0 109.256 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.439 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.0 mm -78.64 124.46 37.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.565 1.166 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.3 m -133.18 127.92 55.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.71 135.56 25.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.503 1.127 . . . . 0.0 109.247 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -64.81 122.06 16.04 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.442 HD21 ' CB ' ' A' ' 79' ' ' ALA . 25.8 mt -76.06 -36.03 59.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.727 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.8 m-85 -137.46 158.29 44.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -65.05 135.48 55.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.245 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.593 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.7 t80 -133.63 131.26 39.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.437 1.086 . . . . 0.0 110.993 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.446 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -121.15 57.4 1.0 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.281 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.493 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 37.16 88.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.323 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.54 HD12 ' HB3' ' B' ' 126' ' ' PRO . 96.7 mt -66.8 -51.17 58.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.4 1.063 . . . . 0.0 109.337 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.644 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -83.42 -150.64 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.431 1.082 . . . . 0.0 109.632 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -106.45 -60.64 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.455 1.097 . . . . 0.0 109.621 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 0.7 OUTLIER -80.05 70.43 6.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 110.318 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' A' ' 40' ' ' GLU . 0.6 OUTLIER -154.48 165.51 36.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.888 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.5 tp -107.7 150.76 26.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.548 1.155 . . . . 0.0 109.327 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 23.9 p -102.58 144.11 31.41 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.446 1.091 . . . . 0.0 109.975 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.593 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 23.8 p90 -156.54 177.15 11.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 111.046 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.568 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 51.2 mt-30 -121.72 160.0 25.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -60.86 108.91 0.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.231 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.21 -2.02 22.44 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.5 t0 -78.02 134.29 37.81 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.467 0.745 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.42 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.2 mt-30 -101.31 128.78 47.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.387 1.054 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.419 ' SD ' HD13 ' A' ' 73' ' ' ILE . 17.1 mtm -122.64 151.59 41.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 110.997 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 56.6 t -97.51 94.12 3.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.556 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.7 t -60.08 114.51 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.255 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.41 HD23 HG12 ' A' ' 51' ' ' VAL . 9.3 mt -96.0 -53.62 3.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.275 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -118.66 139.75 51.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.415 1.072 . . . . 0.0 110.303 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.55 ' CG ' ' CD1' ' A' ' 60' ' ' TRP . 2.7 tm-20 -138.69 77.44 1.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 89.4 p -62.9 -60.18 3.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 109.977 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -131.14 -112.22 1.45 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.119 . . . . 0.0 111.055 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.439 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 9.0 mm-40 -78.44 -61.89 1.86 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 0.775 . . . . 0.0 110.305 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.648 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 14.4 m95 -71.13 133.75 46.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.581 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 5.1 m0 -121.53 153.74 37.58 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.032 -1.099 . . . . 0.0 108.032 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.564 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.4 tttt -94.9 98.42 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.556 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.58 159.37 22.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.224 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.1 OUTLIER -108.6 126.16 52.65 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.307 -179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.408 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.1 OUTLIER -58.56 131.23 50.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.016 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.412 HD23 HH11 ' A' ' 63' ' ' ARG . 20.1 mt -87.46 17.46 4.51 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.572 1.17 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.63 -35.21 4.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 20.3 p -127.94 12.01 6.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 110.474 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 1.9 ptp85 46.16 25.55 0.35 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.296 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.888 ' HB3' HD11 ' A' ' 42' ' ' LEU . 15.7 mttm -68.78 176.69 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 109.352 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -148.59 126.74 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 110.265 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.32 166.84 35.27 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.564 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.5 m-85 -73.85 138.71 44.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.485 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.43 153.17 79.06 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.275 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.489 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.98 141.12 26.29 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.536 1.808 . . . . 0.0 111.032 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.641 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -85.07 -24.83 27.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.984 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.481 ' O ' HD21 ' B' ' 128' ' ' LEU . 24.1 p-10 -75.28 -3.32 32.61 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.581 1.175 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.53 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -116.3 11.22 15.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.978 -179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.641 HG22 ' HA ' ' A' ' 75' ' ' SER . 6.4 m -134.73 169.65 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.442 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -153.95 108.14 3.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.344 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.512 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.6 OUTLIER -36.43 137.3 0.28 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 110.277 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.78 -32.25 46.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -87.49 12.57 11.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.334 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 t -121.43 26.55 8.79 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.463 1.102 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.6 mt -93.8 178.44 5.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 0.0 109.283 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.37 -161.85 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.414 1.071 . . . . 0.0 110.341 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.546 HG22 ' O ' ' A' ' 86' ' ' THR . 24.2 m . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.408 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.499 ' CH3' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.012 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 2.7 m-70 -175.76 123.58 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.652 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.17 85.37 3.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.046 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.97 -48.41 4.67 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.558 1.161 . . . . 0.0 109.262 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -105.21 151.85 39.67 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 111.053 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo -74.87 55.52 3.9 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.457 1.767 . . . . 0.0 111.052 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.468 HD13 ' HB3' ' A' ' 76' ' ' ASN . 20.1 mt 59.22 154.09 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.567 1.167 . . . . 0.0 109.288 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.648 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 163.45 35.25 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.501 1.79 . . . . 0.0 110.951 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 114.32 4.0 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.727 HD22 ' CE2' ' A' ' 32' ' ' TYR . 13.1 mt -55.27 134.68 69.26 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.248 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.678 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo -74.98 -161.98 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.486 1.782 . . . . 0.0 111.066 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.438 ' O ' ' N ' ' B' ' 132' ' ' NH2 . 0.3 OUTLIER -128.77 58.44 1.58 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 109.999 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 19.6 mt 70.01 -64.86 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.135 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . 0.438 ' N ' ' O ' ' B' ' 130' ' ' SER . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 94.49 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.506 1.793 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.9 mt -81.01 174.44 11.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.33 143.22 3.6 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.442 1.088 . . . . 0.0 111.003 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -168.14 112.55 0.58 Allowed Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 0.755 . . . . 0.0 110.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.04 178.6 7.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.97 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.32 103.26 0.18 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -179.68 5.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -127.32 94.05 3.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 44.7 m -58.04 135.42 56.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.995 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -168.15 134.65 2.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 109.596 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 179.55 135.13 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.2 p -175.86 137.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.538 1.149 . . . . 0.0 109.97 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -176.64 136.97 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.438 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 18.2 p -77.01 140.45 66.58 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.157 . . . . 0.0 110.411 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.03 -161.91 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.482 1.78 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -53.58 -58.19 13.11 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.427 1.079 . . . . 0.0 110.999 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.406 ' O ' ' O ' ' A' ' 17' ' ' GLY . 7.5 mt 60.9 148.07 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -40.47 147.14 0.11 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.436 1.085 . . . . 0.0 110.247 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -58.88 170.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.142 . . . . 0.0 110.383 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.43 144.08 48.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.25 62.79 3.17 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.41 1.069 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -54.74 -173.5 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.436 0.727 . . . . 0.0 110.005 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 68.16 100.02 0.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.143 . . . . 0.0 110.298 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 44.7 m-20 -158.52 98.91 1.56 Allowed 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.431 1.082 . . . . 0.0 109.28 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.429 ' O ' HG22 ' A' ' 26' ' ' ILE . 4.2 mm -83.21 94.33 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.596 ' CD1' HG22 ' A' ' 51' ' ' VAL . 13.6 mm -82.45 129.62 37.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.521 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.6 m -136.0 128.85 46.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.7 p -88.36 138.08 19.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.334 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.616 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -68.78 121.81 17.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.495 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 19.0 mt -77.6 -35.3 52.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.263 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.842 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.2 m-85 -137.19 151.5 48.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.525 1.141 . . . . 0.0 111.031 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -60.96 138.28 58.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.54 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.4 t80 -137.38 134.86 36.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.986 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.417 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.1 mt-10 -126.81 58.66 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.142 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.463 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.6 87.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.257 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 87.3 mt -67.38 -51.9 47.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.311 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.635 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -115.35 153.24 31.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.446 1.091 . . . . 0.0 109.651 179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -50.15 166.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.572 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 56.28 51.6 11.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -154.23 151.37 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.795 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.5 tp -97.21 154.22 17.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 1.087 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 53.5 p -107.83 137.13 46.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.54 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -148.62 -178.91 6.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.616 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 75.1 mt-30 -123.56 160.57 26.73 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.414 1.071 . . . . 0.0 110.328 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.495 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 3.2 tttt -62.02 108.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.487 1.117 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 114.0 0.7 24.07 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.513 1.133 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -79.59 136.33 36.82 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.477 0.751 . . . . 0.0 109.28 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -102.0 132.41 47.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.272 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.481 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.6 mtm -127.46 149.47 50.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.901 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.596 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.0 t -96.54 95.0 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 13.0 t -59.86 123.3 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.428 1.08 . . . . 0.0 109.327 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.484 ' CD2' HG12 ' A' ' 51' ' ' VAL . 8.9 mt -106.3 -53.56 2.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.103 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -115.85 132.9 56.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.539 1.15 . . . . 0.0 110.331 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 1.1 tm-20 -136.77 77.36 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.53 -53.64 7.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 109.965 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.444 ' O ' ' NE1' ' A' ' 60' ' ' TRP . . . -123.84 -132.27 3.89 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.478 1.111 . . . . 0.0 111.032 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.506 ' HB3' HD21 ' B' ' 125' ' ' LEU . 6.6 mm-40 -73.5 -47.79 38.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 0.73 . . . . 0.0 110.31 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.713 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 28.2 m95 -79.91 132.85 36.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.573 1.171 . . . . 0.0 107.969 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.578 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.8 m0 -121.71 151.2 40.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 107.987 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.581 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -92.77 98.51 11.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.265 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.52 157.22 26.69 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.475 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 4.2 tmm_? -106.43 125.11 50.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.167 . . . . 0.0 110.276 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 13.3 t -57.73 132.67 53.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.017 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.45 HD23 ' HA ' ' A' ' 65' ' ' LEU . 8.8 mt -88.39 18.6 4.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -117.84 -36.21 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.34 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 10.1 p -127.81 12.01 6.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 110.435 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.3 OUTLIER 46.53 26.0 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 110.264 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.795 ' HB3' HD11 ' A' ' 42' ' ' LEU . 56.1 mttt -69.2 176.77 3.08 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.52 1.137 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -148.0 124.62 11.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 1.145 . . . . 0.0 110.366 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.88 162.8 29.55 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.473 1.108 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 20.5 m-85 -69.8 138.52 52.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 0.79 . . . . 0.0 110.927 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.481 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -133.79 151.92 77.84 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.566 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 140.84 25.85 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.506 1.792 . . . . 0.0 111.015 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.746 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -84.87 -26.65 27.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 110.02 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.569 ' HB3' HD13 ' B' ' 125' ' ' LEU . 28.0 p-10 -73.35 -5.81 42.11 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 109.278 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.671 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -113.14 2.58 15.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.746 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.9 m -125.17 169.19 16.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -153.03 109.13 3.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.461 1.1 . . . . 0.0 109.281 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.521 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.56 137.53 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.12 -32.35 50.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -87.05 12.02 12.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.239 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.9 t -120.4 28.29 8.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.031 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 mt -100.05 148.7 24.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.13 100.12 4.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.331 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 26.6 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 110.387 -179.986 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.553 ' O ' ' CG ' ' B' ' 120' ' ' HIS . . . . . . . . 0 C--O 1.231 0.093 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.553 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 4.3 m-70 -176.58 131.27 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.446 1.091 . . . . 0.0 109.564 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -79.23 67.5 4.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -54.41 -72.91 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.313 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -110.41 168.01 8.24 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.475 1.109 . . . . 0.0 110.995 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.4 Cg_endo -74.93 54.02 3.48 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.503 1.791 . . . . 0.0 111.054 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.569 HD13 ' HB3' ' A' ' 76' ' ' ASN . 28.2 mt 60.53 149.63 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.713 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -75.01 166.32 29.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.533 1.807 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.93 119.67 5.76 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.507 1.793 . . . . 0.0 111.032 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.842 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -63.76 133.97 95.74 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.359 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.552 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.1 -22.65 14.41 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.987 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 48.05 78.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 110.021 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.03 -68.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.348 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.477 ' O ' HD23 ' A' ' 3' ' ' LEU . 18.4 Cg_endo -74.99 179.73 5.8 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 2' ' ' PRO . 27.5 mt -147.31 178.64 8.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -105.22 164.58 14.19 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.981 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -112.37 134.49 21.54 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.534 0.784 . . . . 0.0 109.984 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 178.62 7.03 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.518 1.799 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.84 88.99 1.96 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.465 1.103 . . . . 0.0 110.938 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -178.63 4.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.524 1.802 . . . . 0.0 110.985 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 6.4 p-10 -95.83 107.33 19.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.213 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 42.1 t -173.44 148.87 1.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.175 . . . . 0.0 110.05 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 4.5 t-160 -160.39 171.51 18.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.637 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -136.96 156.73 48.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.332 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.5 p 178.11 137.98 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -169.35 138.74 2.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.123 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.45 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 81.2 p -40.15 134.24 1.47 Allowed Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.44 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.01 -162.32 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.476 1.777 . . . . 0.0 111.035 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.23 76.84 0.46 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.61 1.194 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.8 mt -79.46 143.22 12.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 0.753 . . . . 0.0 109.206 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 67.2 mtp180 -72.36 160.22 32.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.295 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -170.29 160.11 7.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.41 1.069 . . . . 0.0 110.316 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.65 116.17 28.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.25 -61.79 4.74 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.46 1.1 . . . . 0.0 111.001 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 76.24 -57.86 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.56 0.8 . . . . 0.0 110.028 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -145.92 83.93 1.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 110.264 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -157.95 97.01 1.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.324 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.429 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.8 mm -80.08 98.14 3.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.408 1.067 . . . . 0.0 109.197 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.437 ' CD1' HG22 ' A' ' 51' ' ' VAL . 7.2 mm -87.76 127.86 40.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.453 1.096 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.514 HG12 ' HG2' ' A' ' 80' ' ' ARG . 32.9 m -134.79 127.03 48.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -87.09 134.57 27.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.498 1.124 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.514 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -63.9 121.72 14.76 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 109.292 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.53 HD21 ' CB ' ' A' ' 79' ' ' ALA . 30.1 mt -76.23 -23.78 54.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.591 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.3 m-85 -152.09 150.78 30.29 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.534 1.146 . . . . 0.0 111.064 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.441 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 28.8 p-10 -56.78 143.64 36.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.635 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 70.1 t80 -144.7 130.27 18.96 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.4 OUTLIER -122.79 59.92 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.431 1.082 . . . . 0.0 110.344 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.424 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.0 85.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.567 HD12 ' HB3' ' B' ' 126' ' ' PRO . 85.4 mt -62.72 -52.88 54.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.636 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -108.88 -170.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.578 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.507 ' O ' ' C ' ' A' ' 40' ' ' GLU . 0.2 OUTLIER -74.43 -178.29 3.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.585 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.516 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 5.0 pt-20 29.08 64.11 0.12 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.547 1.154 . . . . 0.0 110.332 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -154.2 137.56 15.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.422 1.076 . . . . 0.0 109.286 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.873 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.1 tp -86.66 152.72 22.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.464 1.103 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 60.7 p -108.27 138.08 45.16 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.525 1.141 . . . . 0.0 110.049 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.635 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.3 p90 -145.26 -171.78 3.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.514 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 50.2 mt-30 -130.31 155.08 46.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.515 1.134 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 12.1 tmtt? -62.22 102.48 0.3 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 109.344 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.31 -1.52 10.53 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.452 1.095 . . . . 0.0 110.937 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -84.47 144.62 28.61 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 0.758 . . . . 0.0 109.349 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -106.94 138.3 43.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.304 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.9 mtm -129.84 150.26 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.437 HG22 ' CD1' ' A' ' 27' ' ' ILE . 52.9 t -95.7 94.17 4.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.613 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.9 t -61.5 126.87 20.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.434 ' CD2' HG12 ' A' ' 51' ' ' VAL . 10.9 mt -108.36 -50.45 3.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 109.291 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -100.53 -174.08 2.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.321 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.453 ' HA ' ' CD1' ' A' ' 60' ' ' TRP . 13.7 tt0 174.94 76.86 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.555 1.159 . . . . 0.0 110.26 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.3 t -65.39 -56.77 10.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.598 1.186 . . . . 0.0 109.957 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -152.06 -64.55 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.588 1.18 . . . . 0.0 110.967 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.454 ' O ' ' NE1' ' A' ' 60' ' ' TRP . 0.8 OUTLIER -112.77 -65.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 0.743 . . . . 0.0 110.264 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.636 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 22.0 m95 -70.12 133.57 47.27 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.572 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 4.7 m0 -124.09 152.37 42.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 108.029 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 6.2 tttt -93.38 96.68 10.08 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 109.336 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.613 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -114.22 160.89 18.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -110.62 122.75 48.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.306 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -53.45 128.31 28.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 109.982 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 34.6 mt -89.23 31.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -128.68 -42.84 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.271 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.5 p -121.4 -4.4 9.38 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.427 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 68.49 22.76 7.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 110.284 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.873 ' HB3' HD11 ' A' ' 42' ' ' LEU . 20.1 mttt -74.27 138.98 43.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 109.359 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.432 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 13.8 mt-10 -111.74 134.04 53.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 110.273 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 173.25 162.05 24.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.585 1.178 . . . . 0.0 110.949 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.1 m-85 -68.05 146.23 53.7 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.532 0.783 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.432 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -141.64 152.29 62.64 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.567 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.93 134.78 18.37 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.45 1.763 . . . . 0.0 111.004 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.608 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -79.05 -28.38 43.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.023 179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.658 ' HB3' HD13 ' B' ' 125' ' ' LEU . 26.1 p-10 -72.45 -5.79 39.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 109.3 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.453 ' O ' ' N ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -113.29 10.5 18.47 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 111.009 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.608 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.6 m -134.41 169.22 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.567 1.167 . . . . 0.0 109.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.53 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -153.83 110.64 3.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.351 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.514 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -38.43 137.61 0.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 110.314 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.1 -31.83 48.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -86.92 11.53 13.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -120.02 29.32 7.59 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 109.99 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.1 mt -101.5 129.71 47.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.238 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -70.2 100.14 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.325 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 43.7 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.42 1.075 . . . . 0.0 110.413 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.069 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.566 ' NE2' ' CG ' ' A' ' 59' ' ' TRP . 1.6 p-80 -140.39 173.46 11.48 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.448 1.092 . . . . 0.0 109.594 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 8.9 m -157.79 43.46 0.32 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.046 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . 0.55 ' CE ' ' CG ' ' B' ' 120' ' ' HIS . 0.2 OUTLIER -77.98 -38.49 44.9 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . 0.407 ' HA ' ' HD3' ' B' ' 124' ' ' PRO . 24.0 m-85 -104.77 142.91 25.62 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 0.0 111.001 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 123' ' ' TYR . 18.2 Cg_endo -75.13 55.12 3.92 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.465 1.771 . . . . 0.0 110.968 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.658 HD13 ' HB3' ' A' ' 76' ' ' ASN . 23.2 mt 60.8 153.53 0.1 Allowed Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.425 1.078 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.567 ' HB3' HD12 ' A' ' 37' ' ' ILE . 18.4 Cg_endo -74.99 165.0 32.25 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.512 1.796 . . . . 0.0 111.011 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 113.78 3.87 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.491 1.785 . . . . 0.0 111.044 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.623 HD13 ' CD2' ' B' ' 131' ' ' LEU . 13.0 mt -54.4 134.06 62.07 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 109.255 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.574 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.08 -55.43 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.482 1.78 . . . . 0.0 110.959 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.52 137.21 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.116 . . . . 0.0 110.051 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.623 ' CD2' HD13 ' B' ' 128' ' ' LEU . 0.3 OUTLIER -138.92 97.4 3.31 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.314 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.573 1.171 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 103.51 1.74 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 17.0 mt -100.27 175.63 5.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.326 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.37 134.72 1.76 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.606 1.191 . . . . 0.0 111.012 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -143.61 99.64 5.22 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.444 0.732 . . . . 0.0 110.033 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 175.0 11.82 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.541 1.811 . . . . 0.0 110.977 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 134.22 92.34 0.44 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.49 1.119 . . . . 0.0 111.036 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 172.04 17.14 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.793 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -85.5 107.09 17.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.361 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 t -40.26 146.26 0.14 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.98 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -139.91 124.26 17.97 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.095 . . . . 0.0 109.576 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -179.04 117.41 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.283 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 87.7 p -166.69 133.89 2.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.535 1.147 . . . . 0.0 110.028 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -174.89 153.38 1.69 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.296 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.531 ' HB ' HD11 ' A' ' 18' ' ' ILE . 29.6 p -89.79 150.13 43.35 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.553 1.158 . . . . 0.0 110.433 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -162.15 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.501 1.79 . . . . 0.0 111.107 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -72.26 76.32 0.77 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.531 HD11 ' HB ' ' A' ' 15' ' ' THR . 78.4 mt -62.85 135.81 26.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.445 0.733 . . . . 0.0 109.325 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -71.81 -179.36 2.64 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.422 1.076 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -123.51 163.53 20.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.52 155.28 38.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 109.346 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 153.4 -69.82 0.3 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.506 1.129 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.7 t -63.19 165.05 7.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 0.773 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 39.48 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.455 1.097 . . . . 0.0 110.291 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -164.04 102.45 0.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 109.335 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.521 ' CD1' ' CZ ' ' A' ' 80' ' ' ARG . 5.1 mm -84.17 95.81 4.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.576 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.2 mm -84.06 127.13 40.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.593 1.183 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.565 HG12 ' HA ' ' A' ' 80' ' ' ARG . 26.8 m -134.19 132.99 55.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.347 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 1.9 p -91.72 136.71 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.302 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.622 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.58 116.91 8.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.445 1.09 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.481 HD11 ' HB2' ' A' ' 79' ' ' ALA . 59.6 mt -73.2 -23.12 60.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.511 1.132 . . . . 0.0 109.322 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.899 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.1 m-85 -152.46 148.54 27.55 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 110.995 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.436 ' N ' ' HB2' ' A' ' 46' ' ' LYS . 34.3 p-10 -55.93 146.98 20.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.622 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.3 t80 -149.05 124.73 10.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.072 . . . . 0.0 111.004 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -113.14 55.73 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.52 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.66 86.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.573 1.171 . . . . 0.0 109.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.461 HD12 ' HB3' ' B' ' 126' ' ' PRO . 80.3 mt -59.0 -47.39 90.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.494 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -94.79 -160.0 0.75 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.594 179.976 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -92.66 -56.9 2.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 109.555 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.7 76.97 7.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.113 . . . . 0.0 110.264 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -167.55 152.95 7.24 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.737 HD13 ' C ' ' A' ' 70' ' ' GLU . 13.3 tp -96.36 151.0 19.95 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.268 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 55.4 p -105.16 139.8 39.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.972 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.622 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.0 p90 -147.3 -171.36 3.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.54 1.15 . . . . 0.0 110.975 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.622 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 65.7 mt-30 -129.94 157.67 41.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.577 1.173 . . . . 0.0 110.231 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' HB2' ' N ' ' A' ' 33' ' ' ASP . 0.2 OUTLIER -64.87 101.03 0.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.342 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 121.27 5.91 9.24 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.456 1.097 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.8 147.45 23.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.373 0.69 . . . . 0.0 109.311 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -108.8 137.46 46.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 110.253 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.462 ' SD ' HD13 ' A' ' 73' ' ' ILE . 9.8 mtm -130.79 148.61 52.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 110.925 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.919 HG23 HD11 ' A' ' 65' ' ' LEU . 56.1 t -95.15 95.7 5.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.589 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.7 t -61.94 122.13 11.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.27 -52.04 3.23 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.59 1.181 . . . . 0.0 109.272 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 15.9 mm-40 -117.59 139.45 50.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 110.321 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.4 OUTLIER -133.97 70.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.8 t -50.59 -62.59 1.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.74 -84.93 0.06 OUTLIER Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.478 1.111 . . . . 0.0 110.99 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.474 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.7 mm-40 -95.35 -66.74 0.89 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.532 0.784 . . . . 0.0 110.233 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.576 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 38.7 m95 -69.98 130.24 41.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 108.006 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.564 ' HE3' HG21 ' A' ' 52' ' ' VAL . 9.8 m0 -117.85 152.94 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 107.979 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.567 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.5 tttm -98.01 97.1 8.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.504 1.127 . . . . 0.0 109.279 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.589 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.08 168.13 10.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.589 1.181 . . . . 0.0 109.338 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.566 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.1 tmm_? -116.63 123.77 48.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.089 . . . . 0.0 110.272 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 8.8 t -54.63 133.11 46.53 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 110.007 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.919 HD11 HG23 ' A' ' 51' ' ' VAL . 10.8 mp -90.78 23.65 3.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.4 -39.31 2.79 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.279 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 2.7 p -122.04 -4.12 9.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.412 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 mmm180 64.97 21.32 12.29 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 110.348 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.536 ' HB3' HD11 ' A' ' 42' ' ' LEU . 14.7 mttt -70.08 178.06 2.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.737 ' C ' HD13 ' A' ' 42' ' ' LEU . 19.0 mt-10 -145.19 147.87 32.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.276 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.41 ' CA ' ' HB2' ' A' ' 42' ' ' LEU . . . 159.85 165.14 16.17 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 110.977 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 1.136 ' CD1' ' H2 ' ' B' ' 119' ' ' ACE . 20.1 m-85 -72.74 139.42 47.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 0.769 . . . . 0.0 111.044 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.635 HD12 HG11 ' A' ' 78' ' ' VAL . 1.1 pt -133.41 151.57 77.69 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.651 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -75.01 130.7 13.5 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.43 1.753 . . . . 0.0 110.929 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.672 ' HA ' HG22 ' A' ' 78' ' ' VAL . 4.1 t -75.44 -26.35 58.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 110.025 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.855 ' HB3' HD13 ' B' ' 125' ' ' LEU . 18.4 p-10 -72.98 -5.76 40.87 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.435 1.085 . . . . 0.0 109.238 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.807 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -114.58 6.18 15.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.586 1.178 . . . . 0.0 111.026 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.672 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.4 m -126.72 171.98 14.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.115 . . . . 0.0 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.481 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -158.43 110.05 2.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.236 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.565 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -38.1 138.41 0.43 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.112 . . . . 0.0 110.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.73 -32.43 51.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.11 11.83 12.95 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -118.22 29.11 7.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.991 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.6 mt -101.83 141.21 35.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -115.72 79.99 1.38 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.543 1.152 . . . . 0.0 110.392 -179.982 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 1.136 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.024 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.5 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 3.9 m170 -174.83 125.95 0.28 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.579 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 97.3 p -97.71 71.43 2.24 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.999 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . 0.4 ' HG2' ' N ' ' B' ' 123' ' ' TYR . 0.5 OUTLIER -100.85 -32.3 10.74 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . 0.4 ' N ' ' HG2' ' B' ' 122' ' ' LYS . 2.4 m-85 -116.09 154.64 48.55 Favored Pre-proline 0 C--N 1.324 -0.541 0 O-C-N 124.54 1.15 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 137.29 21.55 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.52 1.8 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.855 HD13 ' HB3' ' A' ' 76' ' ' ASN . 13.8 mt -40.39 154.99 0.19 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.396 1.06 . . . . 0.0 109.291 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.576 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.02 163.36 35.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.445 1.76 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 117.9 5.06 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.993 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.899 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -56.91 130.93 79.3 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.12 . . . . 0.0 109.303 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.678 ' HD3' ' OH ' ' A' ' 77' ' ' TYR . 18.5 Cg_endo -74.95 -28.78 8.98 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 26.1 m 58.93 114.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.521 1.138 . . . . 0.0 110.026 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.1 pp -80.5 -19.4 45.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.142 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.087 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.86 6.7 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.625 1.855 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 49.9 mt -140.11 175.78 9.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.338 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.86 -164.1 22.94 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.516 1.135 . . . . 0.0 110.947 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -148.9 93.51 4.2 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.464 0.743 . . . . 0.0 109.91 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 159.66 41.13 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.49 1.784 . . . . 0.0 111.025 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 155.4 97.27 0.14 Allowed Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.506 1.129 . . . . 0.0 111.041 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 168.29 25.17 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.529 1.805 . . . . 0.0 110.965 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.491 ' ND2' ' N ' ' A' ' 10' ' ' SER . 1.5 p-10 -60.32 -52.46 65.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.491 ' N ' ' ND2' ' A' ' 9' ' ' ASN . 37.6 p 49.88 -175.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -178.66 -170.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.548 1.155 . . . . 0.0 109.637 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -160.15 118.42 2.65 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 61.9 p -142.17 145.62 34.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 110.027 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.9 t30 178.35 145.95 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 17.5 p -72.57 151.93 91.61 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.444 1.09 . . . . 0.0 110.433 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.26 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.489 1.783 . . . . 0.0 110.975 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -73.49 82.26 0.7 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.457 1.098 . . . . 0.0 110.974 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -89.74 136.28 24.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.528 0.781 . . . . 0.0 109.335 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.96 179.56 4.87 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 110.375 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.1 pm0 -110.64 146.85 35.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.262 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.17 125.89 0.2 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 109.366 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 23' ' ' SER . . . -124.96 57.02 0.69 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 22' ' ' GLY . 0.5 OUTLIER -38.82 -52.47 1.73 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 0.756 . . . . 0.0 110.025 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -172.35 98.78 0.15 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -155.09 99.52 2.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.295 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.415 ' O ' HG22 ' A' ' 26' ' ' ILE . 3.9 mm -88.48 96.25 5.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.501 1.126 . . . . 0.0 109.33 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.456 HG22 ' NE2' ' A' ' 49' ' ' GLN . 14.0 mm -81.25 122.61 36.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.262 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.506 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.6 m -129.43 129.83 67.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.2 p -89.22 142.98 12.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.588 1.18 . . . . 0.0 109.236 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.532 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -74.76 114.61 13.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.443 1.09 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 77' ' ' TYR . 40.7 mt -70.78 -37.4 73.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.678 ' CE2' HD22 ' B' ' 128' ' ' LEU . 1.5 m-85 -133.8 158.5 43.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.03 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.46 138.62 56.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.16 . . . . 0.0 109.293 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.548 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.6 t80 -137.68 134.78 35.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.428 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.98 56.23 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.257 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.509 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.05 88.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.262 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.531 HD12 ' HB3' ' B' ' 126' ' ' PRO . 71.3 mt -67.77 -43.74 86.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.445 1.091 . . . . 0.0 109.251 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.633 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.1 OUTLIER -89.08 -158.61 0.51 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.151 . . . . 0.0 109.595 -179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 8.8 p-80 -101.15 -49.76 4.0 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.504 1.127 . . . . 0.0 109.617 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -89.78 66.58 7.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.414 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.6 OUTLIER -151.68 165.07 35.5 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.916 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.2 tp -107.19 152.77 23.63 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.406 1.066 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.0 p -105.47 143.45 33.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.472 1.107 . . . . 0.0 109.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.548 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.0 p90 -155.69 176.61 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 79.8 mt-30 -120.43 155.29 33.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.283 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 4.5 tttt -56.2 109.93 0.68 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.13 . . . . 0.0 109.348 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.12 -2.14 24.04 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.474 1.109 . . . . 0.0 110.943 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -76.48 136.13 39.37 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.456 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.3 mm-40 -104.28 127.5 51.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.267 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.557 ' SD ' HD13 ' A' ' 73' ' ' ILE . 10.6 mtm -122.08 151.06 41.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.449 1.093 . . . . 0.0 111.028 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.436 ' O ' ' HA ' ' A' ' 62' ' ' ALA . 53.0 t -95.85 94.73 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.586 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.2 t -60.27 119.71 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.143 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.408 ' CD2' HG12 ' A' ' 51' ' ' VAL . 9.5 mt -102.42 -52.83 3.03 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -116.88 133.45 56.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.592 1.182 . . . . 0.0 110.267 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.514 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -128.59 67.23 1.39 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.568 1.167 . . . . 0.0 110.3 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -50.63 -58.68 5.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 110.054 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -146.34 -98.45 0.23 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.006 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -82.64 -68.16 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 0.749 . . . . 0.0 110.219 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.655 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 17.0 m95 -70.71 134.88 47.87 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.542 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.5 m0 -121.93 150.86 41.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.142 . . . . 0.0 108.019 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.573 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.3 tttt -93.35 97.16 10.41 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.35 159.37 22.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.275 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.439 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.2 OUTLIER -108.51 126.39 52.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.515 1.135 . . . . 0.0 110.282 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 2.3 t -57.84 132.32 53.02 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.539 1.149 . . . . 0.0 109.982 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.409 HD23 HH11 ' A' ' 63' ' ' ARG . 19.4 mt -88.08 19.15 3.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.262 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.22 -38.81 2.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.516 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 24.0 p -124.17 12.26 8.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.436 1.085 . . . . 0.0 110.402 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.516 ' CG ' ' O ' ' A' ' 67' ' ' THR . 19.8 ptt-85 46.43 24.45 0.3 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.916 ' HB3' HD11 ' A' ' 42' ' ' LEU . 61.4 mttt -66.94 176.72 1.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.291 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' C ' HD13 ' A' ' 42' ' ' LEU . 31.3 mt-10 -149.25 128.72 13.04 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 110.247 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 177.13 169.6 38.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.979 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 24.0 m-85 -77.25 131.6 38.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.041 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.632 HD12 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -125.55 151.65 70.68 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.327 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.78 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.99 139.44 24.3 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.458 1.767 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.837 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.8 t -85.34 -24.14 27.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.411 1.069 . . . . 0.0 110.047 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.631 ' HB3' HD13 ' B' ' 125' ' ' LEU . 27.6 p-10 -74.12 -8.91 57.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.107 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.621 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -108.85 -15.35 14.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.965 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.837 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -102.97 174.39 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.442 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -159.61 107.75 1.76 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.34 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.506 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -36.0 139.53 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.249 -179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.88 -32.24 55.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.565 1.165 . . . . 0.0 109.281 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -87.04 11.96 12.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.5 t -119.51 28.64 8.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.506 1.129 . . . . 0.0 110.042 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.6 mt -102.52 133.8 46.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.33 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 52.91 82.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 55.6 p . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.421 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -174.82 123.65 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.566 1.166 . . . . 0.0 109.537 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 88.0 p -103.22 71.05 1.09 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.512 1.132 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.8 -51.1 5.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -100.49 151.21 37.5 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 53.23 3.27 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.528 1.804 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.631 HD13 ' HB3' ' A' ' 76' ' ' ASN . 17.4 mt 59.65 154.24 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.155 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.655 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.0 Cg_endo -75.06 164.03 34.04 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.501 1.79 . . . . 0.0 110.948 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 120.57 6.13 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.466 1.771 . . . . 0.0 111.003 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.678 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.0 mt -62.96 133.16 95.24 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.453 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.08 -23.8 13.31 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.437 1.756 . . . . 0.0 111.028 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.28 50.14 4.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -164.29 129.82 2.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.142 . . . . 0.0 109.33 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.429 0 O-C-N 124.421 1.075 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.08 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 148.51 34.98 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.537 1.809 . . . . 0.0 110.981 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.7 mp -120.83 148.56 43.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.59 153.29 5.83 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.965 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.96 130.51 3.28 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.559 0.799 . . . . 0.0 110.002 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.6 7.05 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.14 85.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -178.76 4.41 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.513 1.796 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -126.63 95.99 4.52 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.452 1.095 . . . . 0.0 109.322 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 40.5 m -57.09 143.45 38.53 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 110.083 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -164.65 142.01 6.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.603 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 9.7 p30 -164.52 155.29 14.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -148.45 155.96 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.037 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.6 t30 179.18 165.02 0.95 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.526 1.141 . . . . 0.0 109.356 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.4 p -64.82 158.72 67.92 Favored Pre-proline 0 C--N 1.323 -0.547 0 O-C-N 124.498 1.124 . . . . 0.0 110.421 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 110.962 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -62.62 85.48 0.04 OUTLIER Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.7 mm -105.28 133.85 48.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 0.772 . . . . 0.0 109.3 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 5.5 mtm-85 -42.93 118.77 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 1.162 . . . . 0.0 110.328 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -150.24 161.63 42.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.266 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 45.03 84.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -96.22 -61.25 0.98 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -162.03 179.08 8.26 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.492 0.76 . . . . 0.0 110.012 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 39.58 85.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.315 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -166.2 98.45 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.6 mm -78.86 95.81 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.28 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.451 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.6 mm -85.37 128.56 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.525 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.9 m -135.12 131.43 52.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.566 1.167 . . . . 0.0 109.324 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.0 p -90.17 136.24 24.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.504 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.11 116.47 7.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 0.0 109.32 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 27.4 mt -69.13 -39.7 78.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 0.0 109.311 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.821 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.4 m-85 -131.78 164.3 26.31 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.57 1.169 . . . . 0.0 111.037 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -71.47 137.8 48.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.521 ' HB2' ' CE1' ' A' ' 44' ' ' PHE . 58.1 t80 -136.26 133.38 36.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 110.989 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.42 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -126.78 60.34 1.36 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.521 1.138 . . . . 0.0 110.278 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . 39.13 88.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.491 HD12 ' HE1' ' A' ' 34' ' ' TYR . 96.8 mt -69.29 -57.44 8.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.245 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.631 ' NE2' ' CZ2' ' A' ' 59' ' ' TRP . 1.2 p-80 -113.38 152.93 29.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.461 1.1 . . . . 0.0 109.53 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -47.51 168.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.601 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 52.17 54.38 10.87 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.303 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.1 m-20 -154.92 147.16 23.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 0.0 109.252 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.767 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.4 tp -93.9 151.45 19.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 88.4 p -105.42 141.71 36.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.951 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.521 ' CE1' ' HB2' ' A' ' 34' ' ' TYR . 22.7 p90 -153.83 -179.38 7.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.547 1.154 . . . . 0.0 110.946 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.504 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 94.1 mt-30 -125.16 155.47 39.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.1 tttm -56.99 110.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 113.65 -2.38 24.7 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -79.09 134.83 36.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 0.791 . . . . 0.0 109.341 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -99.79 134.23 42.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.256 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.536 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.6 mtm -129.28 147.96 51.17 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.445 1.09 . . . . 0.0 110.96 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.511 HG12 HD23 ' A' ' 53' ' ' LEU . 54.2 t -93.35 95.26 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.584 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.4 t -61.82 118.32 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.511 HD23 HG12 ' A' ' 51' ' ' VAL . 9.1 mt -98.59 -53.36 3.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.464 1.102 . . . . 0.0 109.305 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -115.52 142.08 47.2 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.437 1.085 . . . . 0.0 110.322 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.525 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 2.0 tt0 -134.55 70.89 1.44 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.155 . . . . 0.0 110.274 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.12 -62.77 1.39 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 109.984 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -149.81 -69.91 0.01 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.552 1.157 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.551 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 0.9 OUTLIER -108.77 -70.59 0.8 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.542 0.79 . . . . 0.0 110.275 -179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.631 ' CZ2' ' NE2' ' A' ' 38' ' ' HIS . 67.3 m95 -67.85 115.21 7.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.137 . . . . 0.0 108.023 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 11.7 m0 -103.22 151.26 22.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 108.021 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.61 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 12.0 tttm -96.31 99.45 11.15 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.341 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.584 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -118.06 167.55 11.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.478 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.0 OUTLIER -118.52 123.24 44.62 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 110.342 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 48.0 t -51.77 130.58 29.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 110.028 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.5 mt -88.96 21.21 3.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.51 -38.25 2.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.567 1.167 . . . . 0.0 109.26 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 11.6 p -121.58 0.89 10.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.546 1.154 . . . . 0.0 110.411 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.4 ' HA ' ' O ' ' A' ' 64' ' ' SER . 5.9 mtt-85 58.2 21.16 7.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.767 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.4 mttt -67.26 177.17 1.93 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.684 ' C ' HD13 ' A' ' 42' ' ' LEU . 18.3 mt-10 -146.36 140.84 26.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.307 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 165.66 165.46 23.04 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.431 1.082 . . . . 0.0 111.034 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.729 ' CE1' ' H3 ' ' B' ' 119' ' ' ACE . 24.2 m-85 -75.17 131.83 40.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 0.77 . . . . 0.0 110.925 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.536 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -124.75 151.97 68.75 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.332 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.637 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.06 136.62 20.52 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.567 1.825 . . . . 0.0 111.027 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.659 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.0 OUTLIER -80.02 -29.06 39.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.103 . . . . 0.0 110.045 -179.942 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.735 ' HB3' HD13 ' B' ' 125' ' ' LEU . 27.7 p-10 -72.15 -4.32 28.47 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.526 1.141 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.496 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -114.62 5.98 15.58 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.499 1.124 . . . . 0.0 110.999 179.972 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.659 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.8 m -128.6 170.32 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.42 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -156.23 109.71 2.7 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.495 1.122 . . . . 0.0 109.253 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.525 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -37.66 138.13 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.293 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.94 -33.01 55.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.377 1.048 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -86.78 10.65 15.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 109.289 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 10.6 t -117.23 28.67 8.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.473 1.108 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -101.46 156.98 17.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.097 . . . . 0.0 109.25 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -107.18 100.11 9.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.249 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 86' ' ' THR . 14.6 t . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.584 1.178 . . . . 0.0 110.411 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.729 ' H3 ' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 15.1 m170 -163.92 -50.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.578 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 4.5 p 72.17 48.71 0.25 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.482 1.113 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 18.3 tttt -81.32 -39.04 25.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.45 1.094 . . . . 0.0 109.315 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -107.27 150.21 39.69 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.505 1.128 . . . . 0.0 110.999 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 55.17 3.85 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.466 1.771 . . . . 0.0 110.984 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.735 HD13 ' HB3' ' A' ' 76' ' ' ASN . 22.6 mt 61.57 155.44 0.11 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.475 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.95 165.7 30.8 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.542 1.812 . . . . 0.0 110.983 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 113.93 3.91 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.527 1.804 . . . . 0.0 111.008 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.821 HD22 ' CE2' ' A' ' 32' ' ' TYR . 17.8 mt -59.42 134.68 88.6 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.741 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo -75.02 -164.28 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.502 1.79 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 22.7 m -120.26 -39.47 2.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.136 . . . . 0.0 109.949 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 53.3 mt 73.69 -67.34 0.27 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.459 1.1 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -179.94 5.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.496 1.788 . . . . 0.0 110.969 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 25.5 mt -144.91 176.49 9.43 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.65 -164.42 12.64 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.434 1.084 . . . . 0.0 110.98 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -148.08 152.8 40.64 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.418 0.717 . . . . 0.0 109.993 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 178.92 6.63 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.508 1.793 . . . . 0.0 110.961 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.81 104.09 0.21 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 176.39 9.99 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.514 1.797 . . . . 0.0 111.006 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.97 94.44 4.22 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.607 1.192 . . . . 0.0 109.228 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 14.4 m -48.39 167.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.009 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -124.64 167.85 13.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.587 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -134.94 161.44 35.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -166.53 145.64 5.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -178.63 157.94 1.0 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.464 1.103 . . . . 0.0 109.325 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.9 p -44.44 161.62 0.22 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.385 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.19 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.596 1.84 . . . . 0.0 110.994 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -76.56 85.66 0.95 Allowed Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.45 1.094 . . . . 0.0 111.017 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.6 mt -110.82 138.21 39.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.431 0.724 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.0 mtt180 -39.38 130.17 1.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 110.27 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -174.88 169.55 3.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.58 76.02 0.29 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.582 1.176 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -74.17 -64.28 2.45 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.027 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.2 p 179.19 -161.75 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 0.769 . . . . 0.0 109.989 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 66.48 102.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -162.96 96.67 0.91 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.494 HD12 ' CZ ' ' A' ' 80' ' ' ARG . 24.1 mm -83.73 101.28 8.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.515 1.134 . . . . 0.0 109.329 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.582 ' CD1' HG22 ' A' ' 51' ' ' VAL . 5.6 mm -91.75 129.57 42.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.458 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.0 m -136.22 128.24 44.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.135 . . . . 0.0 109.308 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.52 136.52 22.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.628 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.44 118.27 10.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 24.1 mt -72.96 -34.01 66.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.097 . . . . 0.0 109.345 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.73 ' CE2' HD22 ' B' ' 128' ' ' LEU . 3.2 m-85 -137.56 161.68 35.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -68.97 141.49 54.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 109.319 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.545 ' CB ' ' CZ ' ' A' ' 44' ' ' PHE . 68.1 t80 -141.67 127.42 19.19 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 111.038 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -118.32 58.63 0.82 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 110.309 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 35' ' ' GLU . . . 39.56 78.89 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.601 HD12 ' HB3' ' B' ' 126' ' ' PRO . 92.6 mt -54.58 -58.03 4.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 109.339 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.57 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -104.75 -171.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.529 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . 0.5 ' CD2' ' CD ' ' A' ' 40' ' ' GLU . 45.4 p-80 -77.67 -174.8 3.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.62 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.521 ' O ' ' CG ' ' A' ' 40' ' ' GLU . 0.3 OUTLIER 31.01 49.5 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 110.224 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -142.26 141.91 32.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.567 1.167 . . . . 0.0 109.277 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.789 HD11 ' HB3' ' A' ' 69' ' ' LYS . 11.6 tp -89.45 151.06 22.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.322 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 90.8 p -106.31 146.25 30.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 109.974 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.545 ' CZ ' ' CB ' ' A' ' 34' ' ' TYR . 23.5 p90 -156.37 -177.53 6.66 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.521 1.138 . . . . 0.0 110.994 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.628 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 89.0 mt-30 -127.68 161.33 29.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.136 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.7 tttm -62.4 107.31 0.89 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.558 1.162 . . . . 0.0 109.329 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.54 -2.24 20.21 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.454 1.096 . . . . 0.0 111.023 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -78.12 136.23 37.83 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.539 0.788 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -102.93 129.98 49.83 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.454 1.096 . . . . 0.0 110.299 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.516 ' SD ' HD13 ' A' ' 73' ' ' ILE . 12.4 mtm -125.47 147.99 49.02 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.612 1.195 . . . . 0.0 110.992 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.987 HG23 HD11 ' A' ' 65' ' ' LEU . 45.9 t -93.97 95.36 5.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.6 HG21 ' HE3' ' A' ' 60' ' ' TRP . 3.4 t -61.42 118.09 3.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.456 1.098 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.499 HD23 HG12 ' A' ' 51' ' ' VAL . 10.1 mt -98.59 -54.32 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.425 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 2.1 mm-40 -110.41 153.27 25.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.125 . . . . 0.0 110.279 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.44 ' HG3' ' NE1' ' A' ' 60' ' ' TRP . 24.8 tt0 -146.1 93.44 2.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 110.299 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.5 t -73.84 -62.49 1.48 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.497 1.123 . . . . 0.0 109.966 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -151.8 -70.26 0.01 OUTLIER Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.428 1.08 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' HB3' HD21 ' B' ' 125' ' ' LEU . 1.7 mp0 -104.47 -65.1 1.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 0.794 . . . . 0.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.622 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 37.0 m95 -73.84 134.25 43.3 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 107.996 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.6 ' HE3' HG21 ' A' ' 52' ' ' VAL . 13.3 m0 -121.07 153.91 36.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.155 . . . . 0.0 107.963 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.595 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 8.0 tttm -97.41 97.46 9.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.582 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.88 166.17 12.47 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.474 1.109 . . . . 0.0 109.33 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.568 ' O ' HD12 ' A' ' 65' ' ' LEU . 3.0 tmm_? -115.92 125.05 52.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.542 1.151 . . . . 0.0 110.359 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.401 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.4 OUTLIER -55.66 131.64 47.0 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.54 1.15 . . . . 0.0 110.054 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.987 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -89.85 22.12 3.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.55 -38.18 3.18 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.387 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 76.0 p -124.36 -2.35 8.03 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.401 ' HA ' ' O ' ' A' ' 64' ' ' SER . 6.8 mtp180 64.56 21.8 12.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.279 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.789 ' HB3' HD11 ' A' ' 42' ' ' LEU . 24.3 mttm -64.92 177.7 0.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.43 1.081 . . . . 0.0 109.268 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.557 ' C ' HD13 ' A' ' 42' ' ' LEU . 28.3 mt-10 -149.82 133.5 16.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.241 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 172.07 172.39 37.92 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.744 ' CD1' ' H2 ' ' B' ' 119' ' ' ACE . 21.5 m-85 -79.29 136.62 37.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.526 0.78 . . . . 0.0 111.018 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.516 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -131.49 152.95 81.36 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.494 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.1 Cg_endo -75.06 137.94 22.24 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.583 1.833 . . . . 0.0 110.963 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.679 ' HA ' HG22 ' A' ' 78' ' ' VAL . 12.1 t -82.5 -26.46 32.53 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.575 1.172 . . . . 0.0 109.938 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.509 ' CB ' HD22 ' B' ' 125' ' ' LEU . 23.6 p-10 -74.06 -3.55 30.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.576 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -115.12 5.74 14.94 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 110.995 -179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.679 HG22 ' HA ' ' A' ' 75' ' ' SER . 5.3 m -128.79 169.3 20.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.333 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.61 108.73 2.96 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.566 1.166 . . . . 0.0 109.29 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.494 ' CZ ' HD12 ' A' ' 26' ' ' ILE . 0.1 OUTLIER -36.4 135.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -32.08 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -86.47 11.26 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 109.309 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 12.6 t -119.49 27.96 8.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.566 1.166 . . . . 0.0 110.012 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.5 mt -99.5 165.14 11.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.67 98.16 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 110.273 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.456 1.098 . . . . 0.0 110.437 179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.744 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.078 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.72 123.72 1.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.561 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 94.5 p -101.33 64.36 1.01 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.049 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.92 -35.0 17.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 109.255 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -115.41 150.79 45.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 53.33 3.27 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.403 1.739 . . . . 0.0 111.075 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.509 HD22 ' CB ' ' A' ' 76' ' ' ASN . 14.0 mt 59.52 154.82 0.1 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.622 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.08 164.07 33.92 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.504 1.792 . . . . 0.0 110.957 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 120.62 6.16 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.509 1.794 . . . . 0.0 110.998 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.73 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -61.81 132.49 93.37 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.567 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo -74.99 -25.34 11.96 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.546 1.814 . . . . 0.0 111.011 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 57.13 84.9 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.492 1.12 . . . . 0.0 110.05 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 30.2 mt -93.34 -70.87 0.68 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.202 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.462 1.101 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.22 8.89 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.51 1.795 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -174.73 140.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.371 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.08 165.6 25.37 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.47 1.107 . . . . 0.0 110.978 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 m -167.98 101.28 0.57 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 110.02 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 178.35 7.39 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.49 1.784 . . . . 0.0 110.987 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -174.95 117.05 0.6 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.466 1.104 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -179.5 5.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.565 1.824 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -125.05 96.7 4.96 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 5.5 t -51.04 132.11 27.4 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.526 1.141 . . . . 0.0 110.042 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -175.56 111.59 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.2 p-10 -175.0 133.52 0.33 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.458 1.099 . . . . 0.0 109.274 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.2 m -173.28 151.02 1.96 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.516 1.135 . . . . 0.0 109.996 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 175.22 137.48 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.439 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 19.4 p -86.79 142.42 34.42 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.3 Cg_endo -75.07 -161.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.529 1.805 . . . . 0.0 111.037 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -71.51 83.29 0.46 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.539 1.149 . . . . 0.0 110.957 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 83.2 mt -91.34 140.75 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.505 0.768 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.5 ptt-85 -41.83 161.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.28 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -163.01 161.01 25.28 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 110.294 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.26 168.41 20.14 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.31 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -172.3 -49.4 0.04 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 61.95 -175.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.5 mm-40 70.8 103.69 0.06 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 1.136 . . . . 0.0 110.245 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -152.07 98.17 2.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.3 mm -83.61 102.29 9.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.344 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.491 HG22 ' OE1' ' A' ' 49' ' ' GLN . 6.1 mm -87.35 127.09 40.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.459 1.1 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.443 HG12 ' HG2' ' A' ' 80' ' ' ARG . 33.7 m -135.19 124.82 42.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.4 p -86.58 135.33 25.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.585 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -61.96 127.69 32.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.282 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 79' ' ' ALA . 46.8 mt -84.45 -16.66 41.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 109.289 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.8 m-85 -160.19 150.88 18.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.513 1.133 . . . . 0.0 110.944 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -57.94 136.6 57.09 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.324 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.584 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 68.5 t80 -136.78 143.69 43.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 0.0 111.008 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -133.2 55.88 1.88 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.464 1.103 . . . . 0.0 110.332 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.532 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 37.76 89.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.906 HD12 ' HB3' ' B' ' 126' ' ' PRO . 81.4 mt -64.67 -47.16 90.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.145 . . . . 0.0 109.299 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.641 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.3 OUTLIER -81.7 -148.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.088 . . . . 0.0 109.609 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 18.8 p-80 -111.33 -42.92 3.79 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 109.559 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -96.24 68.87 2.66 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.532 1.145 . . . . 0.0 110.28 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.533 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 4.1 m-20 -154.48 160.64 41.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.581 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.4 tp -100.18 152.11 20.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.26 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.6 p -106.47 133.64 50.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.989 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.584 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.5 p90 -141.79 -170.97 3.24 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 111.058 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.585 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 63.8 mt-30 -130.66 160.47 34.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.107 . . . . 0.0 110.309 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.3 tttt -65.53 103.71 0.89 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.38 -1.15 12.74 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.538 1.149 . . . . 0.0 111.013 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.91 137.26 33.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.566 0.803 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.491 ' OE1' HG22 ' A' ' 27' ' ' ILE . 5.5 mm100 -101.43 140.13 36.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.497 ' HA ' HD13 ' A' ' 65' ' ' LEU . 12.2 mtm -131.91 147.77 52.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.97 HG23 HD11 ' A' ' 65' ' ' LEU . 11.9 t -93.65 95.23 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.435 1.085 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.569 HG21 ' HE3' ' A' ' 60' ' ' TRP . 4.4 t -61.28 113.23 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.577 1.173 . . . . 0.0 109.363 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.504 ' CD2' HG12 ' A' ' 51' ' ' VAL . 11.0 mt -92.59 -55.44 3.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -115.92 144.51 43.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.52 ' HG3' ' CD1' ' A' ' 60' ' ' TRP . 15.4 tt0 -139.61 101.91 4.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.34 -64.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -148.38 -67.95 0.01 OUTLIER Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.532 1.145 . . . . 0.0 110.952 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -104.24 -69.13 0.82 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.35 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.769 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 23.0 m95 -73.05 134.17 44.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 107.978 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.575 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.4 m0 -122.24 155.25 36.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.002 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 4.1 tttt -96.84 98.95 10.55 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.536 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.23 163.48 16.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.55 ' O ' HD12 ' A' ' 65' ' ' LEU . 1.1 tmm_? -110.96 123.73 50.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.447 ' HB2' HD21 ' A' ' 42' ' ' LEU . 7.3 t -56.45 130.84 46.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 1.094 . . . . 0.0 110.023 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.97 HD11 HG23 ' A' ' 51' ' ' VAL . 11.1 mp -89.15 21.68 3.11 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.227 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -119.63 -37.54 3.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 71.3 p -121.74 -7.28 9.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.569 1.168 . . . . 0.0 110.462 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 67.2 20.14 10.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.581 ' HB3' HD11 ' A' ' 42' ' ' LEU . 27.8 mttm -68.73 177.21 2.61 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.458 1.099 . . . . 0.0 109.281 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 -147.04 122.85 10.61 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.564 1.165 . . . . 0.0 110.268 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -175.35 165.42 36.35 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.568 1.167 . . . . 0.0 110.94 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.921 ' CD1' ' H2 ' ' B' ' 119' ' ' ACE . 24.1 m-85 -71.59 139.18 49.28 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.502 0.766 . . . . 0.0 110.936 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.471 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.1 pp -134.98 152.85 78.01 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.445 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.03 145.22 31.07 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.52 1.8 . . . . 0.0 110.961 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.626 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -86.85 -28.15 23.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.488 1.118 . . . . 0.0 109.954 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.769 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 30.3 p-10 -71.59 -4.77 28.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 109.278 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.451 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -115.41 14.47 16.73 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.626 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -140.03 166.08 20.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.098 . . . . 0.0 109.293 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -152.91 107.28 3.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.443 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.7 OUTLIER -36.41 141.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.31 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.06 -34.45 68.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 0.0 109.219 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -86.69 10.62 15.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.28 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.7 t -118.64 25.47 10.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.04 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.8 mt -97.3 120.44 37.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -89.65 84.38 6.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.5 m . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 -179.972 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.921 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -141.24 -54.85 0.48 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.594 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 16.2 t 68.11 62.86 0.38 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.016 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -116.15 -3.55 12.03 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . 0.406 ' HA ' ' HD3' ' B' ' 124' ' ' PRO . 18.5 m-85 -133.88 149.61 72.26 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo -74.98 49.29 2.21 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.501 1.79 . . . . 0.0 110.978 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.575 HD13 ' HB3' ' A' ' 76' ' ' ASN . 14.4 mt 57.72 156.89 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 109.328 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.906 ' HB3' HD12 ' A' ' 37' ' ' ILE . 18.2 Cg_endo -74.99 166.85 28.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.556 1.819 . . . . 0.0 110.98 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 122.01 6.94 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.481 1.779 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.769 ' CD2' ' ND2' ' A' ' 76' ' ' ASN . 1.8 mm? -64.78 131.52 95.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.451 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.3 Cg_endo -75.0 -27.55 9.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.594 1.839 . . . . 0.0 111.026 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.07 111.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.057 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.03 95.66 3.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 0.0 109.35 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 133.2 16.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.439 1.757 . . . . 0.0 110.98 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -144.62 161.0 40.24 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.249 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.31 179.24 47.51 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.545 1.153 . . . . 0.0 111.042 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.49 98.64 2.49 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.543 0.79 . . . . 0.0 109.991 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 172.13 16.98 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.784 . . . . 0.0 111.016 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.11 87.02 1.97 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.465 1.103 . . . . 0.0 110.957 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 177.86 8.04 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.484 1.781 . . . . 0.0 111.017 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.6 p-10 -121.74 97.02 5.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.266 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 78.6 p -178.34 115.61 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.999 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -140.89 175.86 9.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.56 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -93.71 126.44 38.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -162.57 150.85 14.36 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.572 1.17 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -164.32 153.02 13.09 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.507 1.129 . . . . 0.0 109.254 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.4 p -87.08 160.55 48.91 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.351 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.412 ' O ' ' C ' ' A' ' 17' ' ' GLY . 18.4 Cg_endo -74.99 -162.24 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.101 0 O-C-N 124.526 1.803 . . . . 0.0 110.983 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 16' ' ' PRO . . . -36.81 -84.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 5.8 mt 60.34 155.09 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.77 . . . . 0.0 109.213 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 -116.86 160.23 21.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -85.09 172.83 10.95 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.512 1.132 . . . . 0.0 110.318 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.75 124.15 26.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -132.61 -61.45 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.552 1.157 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 24' ' ' GLU . 0.5 OUTLIER -86.95 -178.42 6.29 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.463 0.743 . . . . 0.0 109.97 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' A' ' 23' ' ' SER . 7.0 pt-20 37.4 84.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.41 1.069 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -158.3 99.49 1.63 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 109.27 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.3 mm -83.38 99.52 6.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.487 ' CD1' HG22 ' A' ' 51' ' ' VAL . 7.9 mm -86.67 125.02 40.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 0.0 109.257 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.52 HG12 ' HG2' ' A' ' 80' ' ' ARG . 29.5 m -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.41 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.3 p -92.54 134.24 31.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.084 . . . . 0.0 109.24 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.45 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -62.86 121.06 12.55 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.493 HD21 ' CB ' ' A' ' 79' ' ' ALA . 25.0 mt -74.78 -30.72 61.54 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.47 1.107 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.726 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.5 m-85 -141.56 165.03 28.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 111.007 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -71.16 137.25 48.61 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.284 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.496 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 45.6 t80 -139.62 138.86 36.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.136 . . . . 0.0 111.006 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -125.87 54.7 1.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.44 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.97 89.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.134 . . . . 0.0 109.341 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.427 HG13 ' CE1' ' A' ' 34' ' ' TYR . 71.7 mt -72.11 -34.68 50.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 109.293 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.618 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.3 m-70 -91.07 -159.48 0.63 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.528 1.143 . . . . 0.0 109.615 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -102.99 -51.77 3.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 109.585 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.476 ' CD ' ' C ' ' A' ' 40' ' ' GLU . 0.0 OUTLIER -87.45 34.29 0.7 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.519 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 6.0 m-20 -113.39 165.4 12.49 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 109.26 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.534 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.1 tp -109.38 154.92 21.88 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.4 p -109.07 134.83 51.16 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 124.532 1.145 . . . . 0.0 110.03 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.496 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.2 p90 -147.72 178.52 8.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.45 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 62.0 mt-30 -123.13 154.36 38.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.239 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.7 tttt -56.48 108.4 0.48 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.88 -6.34 17.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -75.23 141.34 43.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.479 0.752 . . . . 0.0 109.246 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.442 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.2 mm-40 -107.11 131.79 53.72 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.445 1.091 . . . . 0.0 110.29 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.496 ' HA ' HD13 ' A' ' 65' ' ' LEU . 14.4 mtm -126.05 146.21 50.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.011 HG23 HD11 ' A' ' 65' ' ' LEU . 42.3 t -91.62 94.5 4.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.331 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.631 HG21 ' HE3' ' A' ' 60' ' ' TRP . 3.3 t -61.92 115.94 2.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.26 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.446 HD23 HG12 ' A' ' 51' ' ' VAL . 10.2 mt -95.67 -53.42 3.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' O ' ' HB3' ' A' ' 60' ' ' TRP . 15.2 mm-40 -116.49 142.0 47.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 110.294 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.524 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.3 OUTLIER -133.55 66.41 1.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.302 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.2 t -45.13 -66.35 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 109.98 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -142.79 -87.45 0.09 OUTLIER Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.424 1.078 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -90.78 -65.99 0.97 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.434 0.726 . . . . 0.0 110.27 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.618 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 22.7 m95 -72.54 132.94 44.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 107.944 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.631 ' HE3' HG21 ' A' ' 52' ' ' VAL . 8.6 m0 -117.75 151.15 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 108.004 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.593 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 1.2 tttt -94.72 97.73 10.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.612 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.9 159.24 22.71 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.499 1.124 . . . . 0.0 109.328 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.542 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.6 tmm_? -108.95 123.06 48.51 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.551 1.157 . . . . 0.0 110.333 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.37 131.92 43.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 110.017 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.011 HD11 HG23 ' A' ' 51' ' ' VAL . 10.9 mp -89.39 21.62 3.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.362 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -120.21 -37.77 3.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.4 ' CB ' ' HD2' ' A' ' 69' ' ' LYS . 3.4 p -121.24 -5.53 9.42 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.8 mtt85 63.92 21.42 12.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.112 . . . . 0.0 110.284 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.534 ' HB3' HD11 ' A' ' 42' ' ' LEU . 18.1 mttt -70.84 179.33 2.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.456 1.098 . . . . 0.0 109.271 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.442 ' CG ' ' HB2' ' A' ' 63' ' ' ARG . 21.2 mt-10 -147.6 128.43 14.37 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.477 1.111 . . . . 0.0 110.281 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.12 159.28 24.01 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.484 1.115 . . . . 0.0 110.983 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.593 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 27.7 m-85 -69.63 129.21 39.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 0.78 . . . . 0.0 110.961 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.495 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -121.78 152.66 59.38 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.354 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.503 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.91 132.7 15.84 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.519 1.799 . . . . 0.0 111.002 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.638 ' HA ' HG22 ' A' ' 78' ' ' VAL . 11.0 t -77.28 -25.04 50.97 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.419 1.074 . . . . 0.0 110.018 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.613 ' HB3' HD13 ' B' ' 125' ' ' LEU . 21.6 p-10 -76.81 0.0 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.476 1.11 . . . . 0.0 109.231 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.513 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.6 OUTLIER -119.64 11.09 11.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 110.996 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.638 HG22 ' HA ' ' A' ' 75' ' ' SER . 16.5 m -134.17 170.82 18.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.378 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.493 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -156.07 108.93 2.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.293 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.52 ' HG2' HG12 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -36.36 141.51 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.324 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.14 -31.74 54.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.451 1.095 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.08 10.55 16.26 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 70.1 m -120.22 28.76 7.86 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.996 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.1 mt -98.05 150.26 21.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.428 ' O ' HG22 ' A' ' 86' ' ' THR . 17.5 pt-20 -141.8 126.04 17.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.343 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 85' ' ' GLU . 13.1 t . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 110.353 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.488 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.229 0.023 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.41 ' O ' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -169.77 120.85 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 109.556 . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 51.6 p -102.82 66.8 0.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.023 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.84 -46.81 8.65 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.524 1.14 . . . . 0.0 109.243 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.1 m-30 -104.32 150.67 38.67 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.988 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 54.36 3.65 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.524 1.802 . . . . 0.0 110.929 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.613 HD13 ' HB3' ' A' ' 76' ' ' ASN . 17.9 mt 59.55 154.7 0.1 OUTLIER Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.517 1.136 . . . . 0.0 109.305 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.598 ' HD3' ' CH2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.07 164.27 33.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.569 1.826 . . . . 0.0 111.042 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 116.59 4.63 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.501 1.79 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.726 HD22 ' CE2' ' A' ' 32' ' ' TYR . 14.3 mt -57.77 134.29 82.99 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.575 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.1 Cg_endo -75.0 -59.27 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 8.4 t -175.99 132.81 0.25 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.135 . . . . 0.0 110.035 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.564 HD23 ' N ' ' B' ' 131' ' ' LEU . 0.4 OUTLIER -133.29 160.49 37.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.594 1.184 . . . . 0.0 109.385 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -50.56 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.8 mp 63.81 107.28 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.85 168.39 21.28 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.446 1.091 . . . . 0.0 111.04 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.0 p -121.15 146.17 43.72 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.49 0.759 . . . . 0.0 109.974 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 171.17 18.82 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.448 1.762 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 166.43 100.98 0.15 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -179.5 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.5 1.79 . . . . 0.0 111.003 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -122.2 98.52 5.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 20.9 m -53.58 143.54 19.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.995 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 5.0 t-80 -158.37 140.0 13.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 109.582 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -175.34 113.37 0.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.27 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.96 152.14 51.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -168.61 169.38 10.27 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 16.2 p -107.21 154.43 40.5 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.59 1.181 . . . . 0.0 110.36 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.455 1.766 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -45.58 -77.1 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.545 1.153 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.415 ' O ' ' O ' ' A' ' 17' ' ' GLY . 33.8 mt 61.59 140.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 109.352 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.14 170.53 17.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -148.71 163.86 36.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -174.94 130.11 0.31 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -92.67 -49.48 2.72 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.534 1.146 . . . . 0.0 110.996 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -57.95 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 0.793 . . . . 0.0 110.066 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 73.75 98.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.535 1.147 . . . . 0.0 110.331 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -159.67 95.05 1.18 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 6.1 mm -78.05 99.18 2.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.459 1.1 . . . . 0.0 109.25 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.416 ' CD1' HG22 ' A' ' 51' ' ' VAL . 6.3 mm -86.3 125.92 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.262 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.504 HG12 ' HA ' ' A' ' 80' ' ' ARG . 27.7 m -133.06 128.49 56.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.448 1.092 . . . . 0.0 109.364 179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.447 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.3 p -89.07 137.44 21.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.545 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -66.56 122.43 17.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.61 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 55.1 mt -79.31 -17.1 55.28 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.61 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.1 m-85 -158.65 146.68 18.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.36 149.93 6.97 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.625 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 67.7 t80 -152.3 127.69 9.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 110.984 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.2 OUTLIER -120.89 59.5 0.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.444 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.13 86.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 86.1 mt -65.76 -52.76 46.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 109.264 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.628 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.8 OUTLIER -114.29 162.08 17.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.642 179.955 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -57.18 163.92 1.94 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.457 1.098 . . . . 0.0 109.607 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.31 57.66 4.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.292 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.42 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 3.2 m-20 -159.17 154.92 26.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.878 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.5 tp -101.31 155.24 18.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.3 p -108.33 137.96 45.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.054 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.625 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 15.8 p90 -146.73 -171.53 3.77 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.563 1.164 . . . . 0.0 111.037 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.545 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 37.3 mt-30 -130.04 157.57 42.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.496 ' HD2' HD22 ' B' ' 131' ' ' LEU . 0.6 OUTLIER -64.88 102.18 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.436 1.085 . . . . 0.0 109.312 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.28 -1.91 10.54 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.515 1.135 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -81.37 148.18 29.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 0.78 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.447 ' O ' HD13 ' A' ' 65' ' ' LEU . 1.3 mt-30 -110.53 135.16 51.61 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.318 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.4 ' HA ' HD13 ' A' ' 65' ' ' LEU . 11.0 mtm -128.11 148.25 50.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.618 1.199 . . . . 0.0 110.94 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.006 HG23 HD11 ' A' ' 65' ' ' LEU . 32.6 t -93.97 95.25 5.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.313 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.496 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 4.6 t -60.5 119.77 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.209 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.533 ' CD2' HG12 ' A' ' 51' ' ' VAL . 9.2 mt -102.05 -51.53 3.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.271 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -102.02 -175.82 2.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.551 1.157 . . . . 0.0 110.364 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.557 ' OE1' ' CE2' ' A' ' 60' ' ' TRP . 11.8 tt0 -179.22 66.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.287 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 33.7 t -53.65 -61.92 1.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.573 1.171 . . . . 0.0 110.023 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -148.66 -71.43 0.01 OUTLIER Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.142 . . . . 0.0 110.967 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 63.6 mm-40 -105.31 -64.83 1.1 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.256 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.628 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 13.3 m95 -72.06 136.94 46.8 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.542 1.151 . . . . 0.0 108.095 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.557 ' CE2' ' OE1' ' A' ' 55' ' ' GLU . 5.5 m0 -123.47 154.33 39.26 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.579 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.92 96.89 9.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.318 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.496 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -113.59 165.17 12.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.439 1.087 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.499 ' O ' HD12 ' A' ' 65' ' ' LEU . 0.3 OUTLIER -114.42 125.79 54.23 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.162 . . . . 0.0 110.336 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.21 132.64 54.54 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.006 HD11 HG23 ' A' ' 51' ' ' VAL . 10.8 mp -88.11 17.41 5.07 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.506 1.129 . . . . 0.0 109.338 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -116.33 -32.61 5.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.069 . . . . 0.0 109.305 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.523 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 15.0 p -132.07 12.56 4.71 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.545 1.153 . . . . 0.0 110.42 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 67' ' ' THR . 10.4 ptp180 46.46 24.45 0.3 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 1.155 . . . . 0.0 110.256 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.878 ' HB3' HD11 ' A' ' 42' ' ' LEU . 52.9 mttt -67.38 176.25 2.39 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.594 1.184 . . . . 0.0 109.254 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' C ' HD13 ' A' ' 42' ' ' LEU . 45.9 mt-10 -149.54 126.23 11.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.219 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 178.49 165.22 32.75 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.464 1.103 . . . . 0.0 110.975 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 18.0 m-85 -70.35 139.8 52.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.495 0.762 . . . . 0.0 111.007 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.479 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -134.32 152.23 77.72 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.97 126.19 9.83 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.458 1.767 . . . . 0.0 111.036 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.673 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.4 t -72.12 -25.88 61.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.48 1.112 . . . . 0.0 110.025 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.567 ' HB3' HD13 ' B' ' 125' ' ' LEU . 19.1 p-10 -73.73 -6.44 46.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.518 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -113.05 9.23 18.6 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.6 m -132.18 171.55 17.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.577 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -156.83 111.49 2.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.504 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -38.75 141.33 0.28 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.457 1.098 . . . . 0.0 110.257 179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.435 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -68.06 -28.01 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -85.54 8.82 17.84 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.42 20.42 8.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.575 1.172 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.435 HD11 ' HA ' ' A' ' 81' ' ' VAL . 16.8 mt -85.28 164.99 17.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -158.59 123.71 4.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.411 179.968 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.405 ' CH3' ' CE1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.231 0.082 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.411 ' O ' ' HB2' ' A' ' 59' ' ' TRP . 0.0 OUTLIER -175.2 121.38 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.417 1.073 . . . . 0.0 109.593 . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 91.3 p -99.68 88.45 3.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.474 1.109 . . . . 0.0 109.984 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 1.4 ptmm? -109.07 -54.06 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 4.4 m-85 -97.25 152.32 38.2 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 111.037 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.404 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.0 Cg_endo -74.99 53.1 3.23 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.5 1.789 . . . . 0.0 110.888 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.567 HD13 ' HB3' ' A' ' 76' ' ' ASN . 22.7 mt 59.33 153.71 0.09 OUTLIER Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.609 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.4 Cg_endo -74.88 165.31 31.67 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.506 1.793 . . . . 0.0 111.009 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.98 116.68 4.66 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.435 1.755 . . . . 0.0 111.033 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.596 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.6 mt -58.44 131.31 84.93 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.44 1.087 . . . . 0.0 109.274 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.473 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -75.07 -162.88 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.546 1.814 . . . . 0.0 111.008 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.531 ' C ' HD12 ' B' ' 131' ' ' LEU . 61.0 p -115.31 87.28 2.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.043 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.531 HD12 ' C ' ' B' ' 130' ' ' SER . 5.7 mp -143.22 139.15 30.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.263 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 171.39 18.42 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 110.978 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 54.5 mt -145.5 153.45 41.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.52 168.27 30.37 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.987 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 m -160.69 98.1 1.38 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.944 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 164.26 33.77 Favored 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.473 1.775 . . . . 0.0 111.016 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.05 104.23 0.19 Allowed Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.537 1.148 . . . . 0.0 110.959 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.59 35.58 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.561 1.822 . . . . 0.0 110.996 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -44.06 -52.36 7.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.326 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.3 m 60.8 94.86 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 110.05 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -120.21 86.42 2.56 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.625 1.203 . . . . 0.0 109.618 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.17 114.37 28.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.1 p -136.2 141.98 44.07 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.458 1.099 . . . . 0.0 110.029 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -154.74 173.17 16.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.419 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -116.13 138.99 24.59 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 110.406 179.974 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.419 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.05 -161.46 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.528 1.804 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -75.05 74.27 1.43 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.527 1.142 . . . . 0.0 111.01 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.6 mt -78.3 136.64 23.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 0.756 . . . . 0.0 109.267 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 4.6 mtt180 -73.01 -179.15 3.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -110.55 171.52 7.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.238 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.92 132.87 52.04 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 109.29 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.68 -56.51 0.48 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.574 1.171 . . . . 0.0 110.995 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -40.09 -40.86 1.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.444 0.732 . . . . 0.0 109.992 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -158.59 89.91 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.253 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 64.2 m-20 -166.44 101.08 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 1.143 . . . . 0.0 109.357 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.9 mm -83.32 95.52 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.446 1.092 . . . . 0.0 109.297 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.584 ' CD1' HG22 ' A' ' 51' ' ' VAL . 8.2 mm -84.6 128.51 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.105 . . . . 0.0 109.249 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 80' ' ' ARG . 35.6 m -135.39 131.18 51.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.335 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.432 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.2 p -91.26 136.91 22.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.452 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -65.17 123.65 20.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.6 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 60.9 mt -80.71 -15.46 56.44 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.262 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.6 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 2.5 m-85 -159.01 151.02 20.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 111.012 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -58.14 143.24 44.6 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.637 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 78.1 t80 -143.65 125.85 15.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -117.32 60.0 0.76 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.27 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.483 ' N ' ' OG ' ' A' ' 43' ' ' SER . . . 37.63 88.71 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.49 HD12 ' HB3' ' B' ' 126' ' ' PRO . 70.5 mt -67.13 -57.14 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.395 1.059 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.639 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -112.26 159.58 18.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.589 -179.965 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 24.2 p-80 -56.16 165.27 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.088 . . . . 0.0 109.569 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 57.7 56.47 4.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.315 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.424 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 4.7 m-20 -158.67 154.96 27.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.905 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.2 tp -100.6 149.6 23.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.556 1.16 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.483 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.1 m -103.08 142.09 34.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.018 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.637 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 17.4 p90 -152.33 -175.07 5.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 71.3 mt-30 -127.67 156.58 42.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.285 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 31' ' ' LEU . 0.6 OUTLIER -62.26 102.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 123.3 -1.34 9.66 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.447 1.092 . . . . 0.0 111.024 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.76 147.36 27.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 0.767 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -109.36 142.07 40.82 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.492 ' SD ' HD13 ' A' ' 73' ' ' ILE . 10.6 mtm -134.36 147.5 50.53 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.438 1.086 . . . . 0.0 111.09 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.061 HG23 HD11 ' A' ' 65' ' ' LEU . 46.5 t -94.82 94.85 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.259 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.614 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 6.6 t -60.27 118.4 3.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.153 . . . . 0.0 109.34 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.435 HD23 HG12 ' A' ' 51' ' ' VAL . 8.7 mt -99.73 -53.48 3.17 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.558 1.161 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -118.01 138.92 51.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.269 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.523 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.7 OUTLIER -135.16 76.63 1.63 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.314 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HB3' ' C ' ' B' ' 119' ' ' ACE . 24.3 t -61.31 -59.63 5.0 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.446 1.091 . . . . 0.0 110.097 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -137.16 -102.24 0.61 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.533 1.145 . . . . 0.0 110.938 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.458 ' HB3' HD21 ' B' ' 125' ' ' LEU . 1.3 mt-10 -87.58 -59.33 2.28 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 0.769 . . . . 0.0 110.318 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.675 ' CZ2' ' HD3' ' B' ' 126' ' ' PRO . 27.7 m95 -73.74 123.98 25.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 1.114 . . . . 0.0 108.004 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.589 ' CZ2' ' HB2' ' A' ' 75' ' ' SER . 6.7 m0 -112.91 155.72 24.23 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.948 -1.13 . . . . 0.0 107.948 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.1 OUTLIER -97.86 97.46 8.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.614 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.42 161.98 18.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.451 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 2.9 tmm_? -109.36 130.48 55.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 3.5 t -61.71 134.08 56.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 110.013 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.061 HD11 HG23 ' A' ' 51' ' ' VAL . 7.0 mp -89.25 20.67 3.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.48 -39.2 3.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.646 1.216 . . . . 0.0 109.265 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.52 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 2.8 p -128.6 16.12 6.47 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.48 1.113 . . . . 0.0 110.382 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.52 ' CG ' ' O ' ' A' ' 67' ' ' THR . 0.0 OUTLIER 46.48 23.76 0.25 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.231 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.905 ' HB3' HD11 ' A' ' 42' ' ' LEU . 48.5 mttt -65.45 171.8 3.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.586 1.179 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.612 ' C ' HD13 ' A' ' 42' ' ' LEU . 16.8 mt-10 -143.86 134.69 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.272 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 170.19 165.98 28.42 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.5 1.125 . . . . 0.0 111.037 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.7 m-85 -72.47 138.23 46.91 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 0.778 . . . . 0.0 110.994 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.492 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -132.3 150.85 77.1 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.568 1.167 . . . . 0.0 109.29 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.612 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.04 131.72 14.57 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.467 1.772 . . . . 0.0 110.978 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.737 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -75.62 -28.63 58.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 110.053 179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.53 ' HB3' HD22 ' B' ' 125' ' ' LEU . 24.6 p-10 -71.01 -6.74 41.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.162 . . . . 0.0 109.358 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.541 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.7 OUTLIER -113.97 8.24 17.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 1.13 . . . . 0.0 111.01 179.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.737 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.9 m -130.83 168.35 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.488 1.118 . . . . 0.0 109.347 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.572 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -153.7 112.09 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.496 1.123 . . . . 0.0 109.299 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.97 138.6 0.78 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.312 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.43 -33.43 56.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.264 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.58 11.84 13.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -119.79 29.41 7.58 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 109.997 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.0 mt -100.57 143.52 30.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -75.79 102.63 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.137 . . . . 0.0 110.366 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.38 -179.937 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.547 ' O ' ' CG ' ' B' ' 120' ' ' HIS . . . . . . . . 0 C--O 1.231 0.108 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' B' ' 119' ' ' ACE . 8.8 m-70 -175.44 124.15 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.558 1.161 . . . . 0.0 109.605 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 89.0 p -77.85 57.34 1.69 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.553 1.158 . . . . 0.0 109.967 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.83 -69.3 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -103.3 160.14 27.08 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.3 Cg_endo -74.99 53.64 3.4 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.501 1.79 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.53 HD22 ' HB3' ' A' ' 76' ' ' ASN . 24.8 mt 60.24 149.64 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 109.36 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.675 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.6 Cg_endo -74.98 166.58 28.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.593 1.838 . . . . 0.0 111.012 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 121.74 6.77 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.546 1.814 . . . . 0.0 110.986 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.568 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.8 mt -61.78 131.8 93.09 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.281 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.541 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.2 Cg_endo -75.0 -165.68 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.509 1.794 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 15.1 m -123.68 75.39 1.34 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.579 1.174 . . . . 0.0 109.969 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 1.5 mp 40.46 77.56 0.05 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 0.0 109.228 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.555 1.16 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 145.33 31.22 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.493 1.786 . . . . 0.0 110.951 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 19.1 mt -122.43 124.74 44.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -117.27 147.25 18.84 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.1 m -165.36 146.23 6.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.521 0.777 . . . . 0.0 109.998 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -177.34 3.38 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.518 1.799 . . . . 0.0 111.025 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -79.03 -124.66 0.41 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.48 1.113 . . . . 0.0 111.023 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 178.65 6.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.425 1.75 . . . . 0.0 110.985 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -127.38 93.7 3.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 36.7 p -174.77 149.3 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 109.959 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -174.67 85.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.431 1.082 . . . . 0.0 109.574 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -143.18 159.49 42.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -143.3 167.53 21.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.127 . . . . 0.0 109.96 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -170.69 161.24 7.4 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.449 1.093 . . . . 0.0 109.274 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.43 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 33.1 p -69.57 148.92 97.02 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.451 1.094 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.0 Cg_endo -75.11 -162.13 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.522 1.801 . . . . 0.0 110.944 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.404 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -53.16 -63.54 4.95 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.49 1.118 . . . . 0.0 110.952 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.404 ' O ' ' O ' ' A' ' 17' ' ' GLY . 9.7 mt 59.5 153.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.544 0.79 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.71 139.37 0.43 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -123.15 159.23 29.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -176.01 126.07 0.21 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.5 1.125 . . . . 0.0 109.231 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -53.01 -50.03 52.95 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.564 1.165 . . . . 0.0 110.964 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.406 ' C ' ' HG2' ' A' ' 24' ' ' GLU . 0.8 OUTLIER 67.58 -64.0 0.28 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 0.748 . . . . 0.0 109.96 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 22' ' ' GLY . 3.2 pt-20 -175.03 94.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.249 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -157.1 100.43 1.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.118 . . . . 0.0 109.378 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 4.1 mm -85.26 97.35 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.677 ' CD1' HG22 ' A' ' 51' ' ' VAL . 10.2 mm -86.07 129.02 38.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.579 1.174 . . . . 0.0 109.228 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.49 HG12 ' HA ' ' A' ' 80' ' ' ARG . 32.9 m -135.86 127.75 45.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.352 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.3 p -88.48 137.6 20.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -66.75 120.73 14.01 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.232 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.503 HD21 ' CB ' ' A' ' 79' ' ' ALA . 18.3 mt -73.98 -28.4 61.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.755 ' CD1' ' HG2' ' B' ' 129' ' ' PRO . 4.9 m-85 -142.68 170.4 15.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 111.021 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -77.24 135.52 38.46 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.564 1.165 . . . . 0.0 109.274 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 57.8 t80 -136.24 141.22 43.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -132.1 58.07 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.152 . . . . 0.0 110.316 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 38.76 89.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.456 HD12 ' HB3' ' B' ' 126' ' ' PRO . 86.7 mt -67.71 -49.47 69.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.133 . . . . 0.0 109.233 -179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.608 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -85.6 -153.88 0.19 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 109.621 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 42.4 t60 -99.94 -56.01 2.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.394 1.059 . . . . 0.0 109.658 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.412 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 1.6 tt0 -85.68 69.34 10.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 110.279 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.469 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 1.0 OUTLIER -152.56 157.01 40.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.369 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.819 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.6 tp -99.89 154.7 18.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 0.0 109.299 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.5 p -109.08 135.31 50.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 19.8 p90 -146.47 -179.69 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.425 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 59.1 mt-30 -124.71 155.5 39.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.42 1.075 . . . . 0.0 110.294 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.497 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 10.4 tttt -57.69 107.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 115.93 -1.53 21.29 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.563 1.164 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -81.04 133.24 35.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.429 0.723 . . . . 0.0 109.301 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -99.26 132.09 44.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 13.8 mtm -126.92 146.83 50.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 111.01 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.028 HG23 HD11 ' A' ' 65' ' ' LEU . 41.7 t -93.45 97.54 7.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.24 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.59 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 6.4 t -62.82 117.98 4.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.595 1.185 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.534 HD23 HG12 ' A' ' 51' ' ' VAL . 12.0 mt -97.3 -53.49 3.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -118.38 140.57 49.64 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.256 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.529 ' HG3' ' CE2' ' A' ' 60' ' ' TRP . 0.6 OUTLIER -135.49 83.2 2.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.28 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.404 ' H ' ' H1 ' ' B' ' 119' ' ' ACE . 17.4 t -60.31 -63.11 1.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 109.997 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.69 -80.82 0.05 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.537 1.148 . . . . 0.0 110.973 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -97.05 -65.25 0.98 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 0.758 . . . . 0.0 110.248 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.608 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 28.5 m95 -72.78 131.38 42.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.579 ' HE3' HG21 ' A' ' 52' ' ' VAL . 7.7 m0 -119.49 150.7 39.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 107.967 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.6 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -93.8 97.5 10.46 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.545 1.153 . . . . 0.0 109.246 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.64 165.8 12.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.5 ' CG ' ' O ' ' A' ' 69' ' ' LYS . 0.3 OUTLIER -113.59 130.76 56.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.464 ' O ' ' N ' ' A' ' 68' ' ' ARG . 13.8 t -62.97 129.31 39.84 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 109.98 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.028 HD11 HG23 ' A' ' 51' ' ' VAL . 10.7 mp -85.24 8.17 19.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.088 . . . . 0.0 109.254 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -115.99 -14.48 11.23 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.446 1.091 . . . . 0.0 109.384 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.505 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 2.9 p -146.32 16.22 1.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.443 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 35.23 32.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.819 ' HB3' HD11 ' A' ' 42' ' ' LEU . 61.0 mttt -76.27 -178.32 4.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.443 1.089 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 -152.19 124.48 8.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 1.094 . . . . 0.0 110.338 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . -179.25 161.91 28.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.448 1.093 . . . . 0.0 111.038 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.6 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 23.6 m-85 -70.5 131.83 44.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.932 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.473 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -126.46 151.64 73.03 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.421 1.075 . . . . 0.0 109.309 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.639 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.3 Cg_endo -74.96 137.89 22.42 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.491 1.785 . . . . 0.0 111.038 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.732 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.4 OUTLIER -80.8 -29.15 36.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.602 1.188 . . . . 0.0 109.899 -179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.541 ' HB3' HD13 ' B' ' 125' ' ' LEU . 25.8 p-10 -70.64 -6.83 39.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.548 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.6 OUTLIER -113.59 7.7 17.44 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.539 1.15 . . . . 0.0 111.022 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' A' ' 75' ' ' SER . 3.7 m -131.22 168.51 23.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.503 ' CB ' HD21 ' A' ' 31' ' ' LEU . . . -154.46 109.8 3.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.49 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -36.98 140.32 0.17 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -33.44 59.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -86.74 12.31 11.09 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.2 t -118.84 28.69 8.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 109.92 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 11.2 mt -102.15 131.75 48.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -134.4 88.84 2.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.516 1.135 . . . . 0.0 110.333 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.42 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.457 ' H2 ' ' CD1' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -162.62 126.79 3.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.613 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 91.1 p -106.03 86.98 2.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 6.2 pttt -112.07 -39.81 4.38 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -105.83 145.01 30.04 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.957 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.427 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo -75.05 53.34 3.33 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.537 1.809 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.541 HD13 ' HB3' ' A' ' 76' ' ' ASN . 26.4 mt 59.1 152.62 0.08 OUTLIER Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.524 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.06 160.96 39.36 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.514 1.797 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 114.31 4.0 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.68 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.4 mt -49.18 135.15 15.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.755 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.5 Cg_endo -75.01 -55.75 0.07 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.47 1.774 . . . . 0.0 111.017 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 39.9 t -172.76 129.29 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 110.009 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 47.9 tp -133.26 -65.05 0.71 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.597 1.185 . . . . 0.0 109.358 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.024 -0.83 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.464 1.771 . . . . 0.0 111.014 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.6 mt -113.05 114.39 26.8 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.76 146.13 4.87 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m -170.24 105.28 0.43 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.532 0.784 . . . . 0.0 110.061 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 176.88 9.32 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.502 1.791 . . . . 0.0 111.017 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.75 88.57 0.07 OUTLIER Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.429 1.081 . . . . 0.0 111.043 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 177.41 8.63 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.459 1.768 . . . . 0.0 111.003 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -116.27 98.01 6.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.5 m -50.19 111.59 0.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.147 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -170.62 125.01 0.7 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.6 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 4.8 t30 179.18 117.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.412 1.07 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 60.3 p -175.69 147.07 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.02 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 173.68 153.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 56.9 p -82.22 147.83 58.16 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.552 1.158 . . . . 0.0 110.384 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -162.37 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.497 1.788 . . . . 0.0 110.976 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -50.75 -53.76 24.55 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.462 1.101 . . . . 0.0 110.999 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.5 mt 60.13 153.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 0.774 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.1 120.89 12.32 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.427 1.079 . . . . 0.0 110.336 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 2.3 mp0 -63.14 157.78 21.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 20' ' ' GLU . . . 179.97 124.26 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -129.14 57.16 0.73 Allowed Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -42.05 -44.62 3.64 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.476 0.75 . . . . 0.0 110.006 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -150.94 85.92 1.36 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.594 1.184 . . . . 0.0 110.276 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -161.32 91.55 0.86 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.449 1.093 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.412 HD12 ' CZ ' ' A' ' 80' ' ' ARG . 14.4 mm -77.35 96.01 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.479 HG22 ' NE2' ' A' ' 49' ' ' GLN . 8.3 mm -83.35 127.55 39.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.352 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.473 HG12 ' HA ' ' A' ' 80' ' ' ARG . 33.7 m -135.25 131.71 52.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.511 1.132 . . . . 0.0 109.355 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.444 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 4.7 p -91.4 137.47 21.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.47 1.107 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.74 117.45 9.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.473 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 27.4 mt -71.86 -37.61 70.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.786 ' CE2' HD22 ' B' ' 128' ' ' LEU . 1.6 m-85 -135.91 152.58 51.15 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.552 1.157 . . . . 0.0 110.953 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.77 137.39 58.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.601 1.188 . . . . 0.0 109.267 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.619 ' HE1' HD12 ' A' ' 37' ' ' ILE . 66.0 t80 -138.1 132.68 32.41 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.949 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 1.2 mt-10 -126.07 60.03 1.3 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 110.314 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.5 87.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.619 HD12 ' HE1' ' A' ' 34' ' ' TYR . 59.2 mt -69.32 -52.56 31.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.475 1.11 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.627 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.9 p-80 -116.85 155.06 29.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.573 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 12.6 p-80 -46.56 170.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.626 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 47.15 66.67 0.95 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.426 1.079 . . . . 0.0 110.294 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.585 ' OD2' ' CD2' ' A' ' 38' ' ' HIS . 32.2 m-20 -169.07 148.45 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.813 HD11 ' HB3' ' A' ' 69' ' ' LYS . 9.7 tp -96.41 156.64 16.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 29.3 p -109.08 138.28 45.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.475 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 18.3 p90 -148.98 -176.77 5.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.639 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 35.9 mt-30 -124.92 156.7 37.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.275 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.473 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 2.7 tttm -60.96 108.23 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.87 -6.72 17.64 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.481 1.113 . . . . 0.0 110.934 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.67 142.3 42.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.569 0.805 . . . . 0.0 109.313 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.479 ' NE2' HG22 ' A' ' 27' ' ' ILE . 1.3 mm-40 -106.66 137.12 45.26 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.537 1.148 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.486 ' SD ' HD13 ' A' ' 73' ' ' ILE . 9.3 mtm -130.69 147.13 52.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 1.008 HG23 HD11 ' A' ' 65' ' ' LEU . 25.4 t -92.43 94.87 5.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.326 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.639 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 3.1 t -61.04 112.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.429 1.081 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.517 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.2 mt -94.03 -54.93 3.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 109.308 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 -115.44 145.75 42.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 55' ' ' GLU . 0.3 OUTLIER -137.94 60.75 1.62 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 110.318 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -91.0 65.59 5.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.132 . . . . 0.0 109.983 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 124.7 -161.71 19.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.397 1.061 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -61.83 -54.51 41.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 0.752 . . . . 0.0 110.329 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.627 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 26.1 m95 -75.82 138.03 40.88 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.0 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.549 ' HE3' HG21 ' A' ' 52' ' ' VAL . 8.4 m0 -120.59 152.43 38.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 108.036 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.582 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.4 OUTLIER -95.55 96.74 9.26 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.537 1.148 . . . . 0.0 109.336 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.639 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -117.93 159.55 22.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 69' ' ' LYS . 2.1 tmm_? -107.53 127.56 53.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.426 ' O ' ' HA ' ' A' ' 68' ' ' ARG . 0.3 OUTLIER -58.48 138.55 56.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 1.008 HD11 HG23 ' A' ' 51' ' ' VAL . 11.0 mp -93.07 18.36 9.4 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.474 1.109 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -121.84 -36.75 2.96 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.467 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.7 OUTLIER -123.23 10.88 9.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.16 . . . . 0.0 110.374 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.467 ' CG ' ' O ' ' A' ' 67' ' ' THR . 23.4 ptt180 43.59 26.37 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.813 ' HB3' HD11 ' A' ' 42' ' ' LEU . 63.1 mttt -72.26 176.22 5.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.327 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -145.89 124.77 12.69 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 110.261 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 179.74 161.27 26.73 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.462 1.101 . . . . 0.0 111.073 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.582 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 21.0 m-85 -66.8 141.45 57.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 0.765 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.486 HD13 ' SD ' ' A' ' 50' ' ' MET . 1.0 OUTLIER -134.34 152.43 78.07 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.45 ' HB3' ' CZ3' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -75.03 132.66 15.64 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 110.98 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.668 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.9 t -77.87 -25.72 48.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.947 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.645 ' O ' HD21 ' B' ' 128' ' ' LEU . 25.5 p-10 -75.89 -1.53 25.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.298 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.5 ' CE2' ' HB2' ' A' ' 32' ' ' TYR . 0.6 OUTLIER -117.37 5.81 12.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 0.0 111.024 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.668 HG22 ' HA ' ' A' ' 75' ' ' SER . 6.2 m -130.31 168.28 23.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -154.72 110.12 3.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.473 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -37.06 138.14 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.25 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.29 -32.14 47.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -87.14 11.31 14.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.0 t -117.99 30.01 7.49 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.436 1.085 . . . . 0.0 109.998 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 13.0 mt -102.6 143.04 32.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 42.84 89.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 110.309 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.3 t . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.448 1.093 . . . . 0.0 110.42 179.981 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.599 ' O ' ' CD2' ' B' ' 120' ' ' HIS . . . . . . . . 0 C--O 1.229 0.005 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.599 ' CD2' ' O ' ' B' ' 119' ' ' ACE . 1.4 m170 -169.32 125.59 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.523 1.139 . . . . 0.0 109.627 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 79.0 p -96.22 74.37 2.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -83.19 -50.98 7.88 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.553 1.158 . . . . 0.0 109.257 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -112.05 155.15 43.82 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 111.058 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 55.43 3.92 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.478 1.778 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.588 HD22 ' CB ' ' A' ' 76' ' ' ASN . 21.0 mt 62.67 152.3 0.11 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.218 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.527 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.3 Cg_endo -74.9 166.11 29.95 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.542 1.811 . . . . 0.0 111.046 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 113.43 3.79 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.504 1.791 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.786 HD22 ' CE2' ' A' ' 32' ' ' TYR . 19.3 mt -59.63 135.33 89.33 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.468 1.105 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.63 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.0 Cg_endo -74.99 -25.6 11.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 110.974 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.402 ' O ' ' O ' ' B' ' 129' ' ' PRO . 0.7 OUTLIER 52.98 102.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.977 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 33.7 mt -63.75 -66.97 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.135 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 165.17 31.96 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.477 1.777 . . . . 0.0 111.07 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.3 mp -128.0 171.88 11.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.3 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.75 168.38 40.99 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -161.46 97.55 1.28 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.506 0.768 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 174.32 12.99 Favored 'Trans proline' 0 C--N 1.359 1.1 0 O-C-N 124.511 1.795 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.28 89.19 1.98 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 110.954 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.89 163.77 34.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.49 1.784 . . . . 0.0 110.996 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -95.98 99.57 11.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.465 1.103 . . . . 0.0 109.344 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 88.8 p -165.14 139.4 4.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.59 1.181 . . . . 0.0 109.966 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 6.8 p-80 -172.71 168.18 5.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.635 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 33.9 m-20 -114.91 160.29 19.7 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.344 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.7 p -151.79 144.95 24.61 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.544 1.152 . . . . 0.0 109.907 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 25.1 t-20 177.17 142.83 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.408 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 23.6 p -74.58 147.95 85.09 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 110.43 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.2 Cg_endo -75.09 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.544 1.812 . . . . 0.0 110.975 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.413 ' O ' ' O ' ' A' ' 18' ' ' ILE . . . -49.6 -66.28 2.35 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 17' ' ' GLY . 9.1 mt 58.88 156.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.502 0.766 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.4 mtm180 -47.12 138.53 6.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 110.312 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.66 167.15 18.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -84.33 84.37 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.282 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' CB ' ' A' ' 23' ' ' SER . . . -43.43 -58.97 3.76 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.012 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.405 ' CB ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER 166.35 -175.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 0.763 . . . . 0.0 110.02 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 71.44 98.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 110.32 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.407 ' O ' ' CG ' ' A' ' 25' ' ' ASP . 23.3 p-10 -123.58 93.96 4.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.437 1.086 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.4 mm -99.37 103.56 14.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.566 ' CD1' HG22 ' A' ' 51' ' ' VAL . 9.1 mm -89.7 122.5 41.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.472 1.107 . . . . 0.0 109.257 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 80' ' ' ARG . 34.6 m -129.22 129.51 67.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 3.4 p -87.75 142.68 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 109.281 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -74.89 115.99 15.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.438 ' O ' ' CE ' ' A' ' 46' ' ' LYS . 25.5 mt -72.34 -35.6 68.6 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.768 ' CE2' HD22 ' B' ' 128' ' ' LEU . 2.0 m-85 -135.88 149.52 49.02 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 110.963 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 23.2 m-20 -61.63 136.61 58.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 109.289 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.563 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 69.3 t80 -134.83 127.12 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.996 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HA ' ' OG ' ' A' ' 43' ' ' SER . 0.5 OUTLIER -116.76 57.31 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.445 1.091 . . . . 0.0 110.291 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.473 ' N ' ' OG ' ' A' ' 43' ' ' SER . . . 40.75 79.09 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.42 HD12 ' HB3' ' B' ' 126' ' ' PRO . 97.3 mt -55.99 -52.78 45.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.594 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 1.2 p-80 -114.38 -176.6 2.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.63 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -74.36 176.27 6.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.444 1.09 . . . . 0.0 109.577 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 43.21 55.88 4.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.421 1.076 . . . . 0.0 110.308 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.403 ' OD2' ' CZ3' ' A' ' 59' ' ' TRP . 0.2 OUTLIER -153.83 150.92 28.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.563 1.164 . . . . 0.0 109.253 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.911 HD11 ' HB3' ' A' ' 69' ' ' LYS . 12.7 tp -98.23 146.75 25.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.473 ' OG ' ' N ' ' A' ' 36' ' ' ALA . 1.3 m -100.37 139.63 35.78 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.563 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 20.8 p90 -152.44 175.44 12.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.122 . . . . 0.0 110.952 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.602 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 46.9 mt-30 -118.75 158.96 24.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CE ' ' O ' ' A' ' 31' ' ' LEU . 0.8 OUTLIER -59.83 109.1 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.569 1.168 . . . . 0.0 109.335 179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 30' ' ' ALA . . . 114.62 -3.47 23.2 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -74.33 136.0 42.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.567 0.804 . . . . 0.0 109.274 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -103.47 128.51 50.63 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.548 1.155 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.434 ' SD ' HD13 ' A' ' 73' ' ' ILE . 17.0 mtm -124.3 150.3 45.57 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 110.969 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.928 HG23 HD11 ' A' ' 65' ' ' LEU . 52.7 t -95.71 93.93 3.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.599 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 3.1 t -60.01 113.63 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.518 HD23 HG12 ' A' ' 51' ' ' VAL . 10.0 mt -95.02 -54.97 3.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.306 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -115.94 143.58 45.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.118 . . . . 0.0 110.352 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.494 ' CG ' ' CD1' ' A' ' 60' ' ' TRP . 2.1 tm-20 -137.66 73.23 1.43 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.42 1.075 . . . . 0.0 110.305 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -47.81 -66.65 0.37 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 110.042 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -144.08 -80.66 0.05 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.545 1.153 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.464 ' O ' ' CD1' ' A' ' 60' ' ' TRP . 4.1 mm-40 -91.66 -71.43 0.64 Allowed 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.543 0.79 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.721 ' O ' ' H1 ' ' B' ' 119' ' ' ACE . 26.1 m95 -70.11 138.44 51.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 108.012 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.592 ' HE3' HG21 ' A' ' 52' ' ' VAL . 7.8 m0 -121.33 150.93 40.7 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.58 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 5.3 tttt -93.62 97.82 10.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.397 1.06 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.599 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -116.55 164.45 14.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.537 ' HD2' HD12 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -112.09 134.16 53.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.601 1.188 . . . . 0.0 110.296 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 2.8 t -68.04 132.11 46.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.05 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.928 HD11 HG23 ' A' ' 51' ' ' VAL . 6.5 mp -87.35 12.21 12.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.419 ' O ' HG23 ' A' ' 67' ' ' THR . . . -115.25 -15.29 11.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.525 ' O ' ' HG2' ' A' ' 68' ' ' ARG . 3.0 p -152.21 20.57 0.66 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 110.358 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.526 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 0.0 OUTLIER 36.63 30.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.911 ' HB3' HD11 ' A' ' 42' ' ' LEU . 55.2 mttt -70.6 177.95 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.431 ' C ' HD13 ' A' ' 42' ' ' LEU . 41.9 mt-10 -151.69 127.82 10.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.14 . . . . 0.0 110.223 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 176.03 161.84 25.91 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.666 ' CD1' ' H2 ' ' B' ' 119' ' ' ACE . 17.9 m-85 -68.25 135.79 52.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 0.77 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.569 HD12 HG11 ' A' ' 78' ' ' VAL . 1.0 OUTLIER -130.71 151.62 79.09 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.738 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -74.95 135.59 19.38 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.445 1.761 . . . . 0.0 111.045 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.758 ' HA ' HG22 ' A' ' 78' ' ' VAL . 0.3 OUTLIER -81.56 -23.42 37.17 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.401 1.063 . . . . 0.0 110.004 179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.549 ' HB3' HD22 ' B' ' 125' ' ' LEU . 24.9 p-10 -75.33 -7.58 54.35 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.575 1.172 . . . . 0.0 109.288 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.627 ' CE1' HD23 ' B' ' 128' ' ' LEU . 0.7 OUTLIER -111.37 -4.63 14.83 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.427 1.079 . . . . 0.0 110.956 -179.915 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.758 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.1 m -113.45 174.63 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' ARG . . . -160.19 106.14 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.45 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -36.64 139.1 0.2 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.559 1.162 . . . . 0.0 110.327 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.443 ' HA ' HD11 ' A' ' 84' ' ' LEU . 0.4 OUTLIER -66.1 -29.66 47.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.401 1.063 . . . . 0.0 109.293 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -83.81 8.11 15.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 1.1 m -123.85 25.36 8.04 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.443 HD11 ' HA ' ' A' ' 81' ' ' VAL . 15.4 mt -90.35 156.13 18.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.278 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.31 96.99 6.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.301 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.2 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.413 179.941 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.721 ' H1 ' ' O ' ' A' ' 59' ' ' TRP . . . . . . . . 0 C--O 1.23 0.041 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -162.93 121.58 2.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.55 1.157 . . . . 0.0 109.602 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 89.9 p -92.99 80.01 4.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.596 1.185 . . . . 0.0 109.973 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.29 -50.05 3.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -104.07 151.77 39.02 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.424 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.6 Cg_endo -74.97 54.07 3.51 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.428 1.752 . . . . 0.0 111.007 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.549 HD22 ' HB3' ' A' ' 76' ' ' ASN . 17.6 mt 59.47 151.4 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.556 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.5 Cg_endo -74.98 163.45 35.36 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.459 1.768 . . . . 0.0 110.993 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 120.84 6.23 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.518 1.799 . . . . 0.0 111.042 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.768 HD22 ' CE2' ' A' ' 32' ' ' TYR . 12.1 mt -62.09 134.24 94.38 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.554 ' HG2' ' CD1' ' A' ' 32' ' ' TYR . 18.4 Cg_endo -74.99 -25.42 11.89 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.494 1.786 . . . . 0.0 110.963 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . 0.411 ' O ' ' N ' ' B' ' 132' ' ' NH2 . 0.1 OUTLIER 56.91 89.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.014 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . 0.451 ' O ' HD12 ' B' ' 131' ' ' LEU . 1.4 pp -67.45 74.96 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 109.356 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . 0.411 ' N ' ' O ' ' B' ' 130' ' ' SER . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.526 1.141 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -51.31 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.503 1.791 . . . . 0.0 111.008 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.0 mp 64.53 174.98 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.71 139.54 2.41 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.63 85.15 2.18 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.498 0.763 . . . . 0.0 109.995 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 171.25 18.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.456 1.766 . . . . 0.0 110.948 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.24 94.24 0.1 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.397 1.061 . . . . 0.0 110.979 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 169.48 22.51 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.416 1.745 . . . . 0.0 111.028 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -110.74 95.31 5.48 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.6 t -58.56 135.44 57.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.961 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 42.3 t-80 -136.77 153.43 50.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 109.621 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -176.42 108.28 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.535 1.147 . . . . 0.0 109.242 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 91.5 p -97.39 137.53 36.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.424 1.077 . . . . 0.0 109.997 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 3.4 t30 178.43 101.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 109.277 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 16' ' ' PRO . 82.1 p -53.28 138.47 48.06 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.512 1.132 . . . . 0.0 110.427 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 15' ' ' THR . 18.1 Cg_endo -75.01 -162.1 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.46 1.768 . . . . 0.0 110.926 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.88 -58.67 6.74 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.4 mt 60.62 150.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.494 0.761 . . . . 0.0 109.317 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.2 mpp_? -51.37 119.23 3.89 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 110.332 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -114.22 157.01 23.26 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.43 153.07 48.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.8 -48.87 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.512 1.133 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.69 -171.12 0.18 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.441 0.73 . . . . 0.0 110.006 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 68.71 103.19 0.05 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.593 1.183 . . . . 0.0 110.237 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -159.16 96.91 1.35 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.077 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 5.0 mm -80.34 101.1 5.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.102 . . . . 0.0 109.382 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 80' ' ' ARG . 5.7 mm -86.72 128.36 39.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.528 HG12 ' HA ' ' A' ' 80' ' ' ARG . 33.8 m -136.15 132.79 50.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.254 -179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.429 ' O ' ' HA ' ' A' ' 78' ' ' VAL . 2.5 p -92.85 138.01 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.526 ' HB3' ' O ' ' A' ' 45' ' ' GLN . . . -67.61 121.25 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.611 ' O ' ' CD1' ' A' ' 32' ' ' TYR . 79.8 mt -78.28 -15.52 58.67 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.611 ' CD1' ' O ' ' A' ' 31' ' ' LEU . 1.2 m-85 -159.28 150.4 19.95 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.983 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.47 147.99 24.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 109.29 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.619 ' CB ' ' CE1' ' A' ' 44' ' ' PHE . 73.9 t80 -149.71 131.07 14.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 111.056 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -123.57 58.84 1.13 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.126 . . . . 0.0 110.373 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HA ' ' CE2' ' A' ' 34' ' ' TYR . . . 39.3 87.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.449 HD12 ' HB3' ' B' ' 126' ' ' PRO . 88.6 mt -65.04 -56.93 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 109.228 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.647 ' NE2' ' CH2' ' A' ' 59' ' ' TRP . 0.5 OUTLIER -109.84 158.77 17.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.624 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -55.57 159.1 3.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.446 1.091 . . . . 0.0 109.579 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.438 ' OE1' ' NE2' ' B' ' 120' ' ' HIS . 0.8 OUTLIER 63.29 57.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.138 . . . . 0.0 110.349 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.428 ' HA ' ' O ' ' A' ' 72' ' ' TYR . 7.2 m-20 -159.59 154.13 24.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.576 1.172 . . . . 0.0 109.253 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.9 HD11 ' HB3' ' A' ' 69' ' ' LYS . 10.6 tp -99.42 153.72 18.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 61.3 p -107.1 138.61 42.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.398 1.061 . . . . 0.0 110.099 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.619 ' CE1' ' CB ' ' A' ' 34' ' ' TYR . 16.0 p90 -146.84 -171.9 3.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 111.001 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.526 ' O ' ' HB3' ' A' ' 30' ' ' ALA . 25.6 mt-30 -130.52 157.68 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.497 1.123 . . . . 0.0 110.343 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 tttt -63.74 102.17 0.43 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.363 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 120.69 4.53 10.56 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -88.48 139.46 30.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 0.768 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.482 ' O ' HD13 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -103.03 134.47 46.41 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.56 1.162 . . . . 0.0 110.321 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.446 ' SD ' HD13 ' A' ' 73' ' ' ILE . 11.5 mtm -126.92 148.8 50.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 110.965 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.987 HG23 HD11 ' A' ' 65' ' ' LEU . 27.1 t -94.24 95.18 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.3 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.512 ' HA ' ' HB2' ' A' ' 62' ' ' ALA . 5.7 t -60.47 117.3 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.259 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . 0.539 ' CD2' HG12 ' A' ' 51' ' ' VAL . 7.5 mt -99.75 -54.06 3.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -116.81 141.76 47.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.358 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -137.67 80.91 1.83 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.357 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.408 ' OG ' ' H1 ' ' B' ' 119' ' ' ACE . 27.3 p -56.89 -46.66 81.75 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.038 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -169.41 -77.3 0.04 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.521 1.138 . . . . 0.0 110.988 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -92.17 -70.83 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 0.752 . . . . 0.0 110.286 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.647 ' CH2' ' NE2' ' A' ' 38' ' ' HIS . 33.1 m95 -74.0 133.98 43.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . 0.526 ' CE2' ' HB2' ' A' ' 75' ' ' SER . 7.3 m0 -120.16 150.56 40.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 107.982 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.583 ' HB2' ' CE1' ' A' ' 72' ' ' TYR . 0.2 OUTLIER -94.19 97.76 10.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.259 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.512 ' HB2' ' HA ' ' A' ' 52' ' ' VAL . . . -115.57 168.36 10.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.313 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.504 ' O ' HD12 ' A' ' 65' ' ' LEU . 2.9 tmm_? -116.69 126.04 52.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.39 131.07 49.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.987 HD11 HG23 ' A' ' 51' ' ' VAL . 11.2 mp -86.91 14.07 7.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.593 1.183 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -113.95 -25.86 8.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 109.259 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.524 ' O ' ' CG ' ' A' ' 68' ' ' ARG . 70.3 p -138.08 11.31 2.84 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 110.394 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.524 ' CG ' ' O ' ' A' ' 67' ' ' THR . 11.5 ptt180 46.52 24.02 0.28 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.9 ' HB3' HD11 ' A' ' 42' ' ' LEU . 56.9 mttt -67.79 177.38 2.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.39 1.056 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.481 ' C ' HD13 ' A' ' 42' ' ' LEU . 20.1 mt-10 -149.57 130.45 14.25 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.336 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 175.12 170.82 38.57 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.583 ' CE1' ' HB2' ' A' ' 61' ' ' LYS . 16.2 m-85 -75.98 137.4 40.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 0.77 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.475 ' CG2' ' HB3' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -132.81 152.41 79.8 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 109.341 179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.594 ' O ' HG13 ' A' ' 78' ' ' VAL . 18.4 Cg_endo -75.02 137.61 21.9 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.521 1.8 . . . . 0.0 111.012 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.713 ' HA ' HG22 ' A' ' 78' ' ' VAL . 1.4 t -80.91 -28.45 35.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.545 ' ND2' ' CD2' ' B' ' 128' ' ' LEU . 32.3 p-10 -71.75 -6.31 40.45 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TYR . . . . . 0.441 ' CE1' ' HD3' ' B' ' 129' ' ' PRO . 0.8 OUTLIER -113.05 6.11 17.49 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.471 1.107 . . . . 0.0 111.031 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.713 HG22 ' HA ' ' A' ' 75' ' ' SER . 4.2 m -129.47 170.56 18.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.6 ' HB2' HD11 ' A' ' 31' ' ' LEU . . . -158.21 112.13 2.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.528 ' HA ' HG12 ' A' ' 28' ' ' VAL . 0.5 OUTLIER -39.37 139.55 0.53 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.431 1.082 . . . . 0.0 110.304 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.99 -32.57 54.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.124 . . . . 0.0 109.286 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.26 12.4 11.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 109.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 11.1 t -119.04 28.62 8.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 1.123 . . . . 0.0 110.082 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.1 mt -101.73 144.47 30.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.11 107.52 18.56 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 110.272 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.326 -0.428 0 O-C-N 124.512 1.133 . . . . 0.0 110.395 179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 119' ' ' ACE . . . . . 0.542 ' O ' ' CZ ' ' A' ' 72' ' ' TYR . . . . . . . . 0 C--O 1.23 0.04 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 120' ' ' HIS . . . . . 0.438 ' NE2' ' OE1' ' A' ' 40' ' ' GLU . 0.4 OUTLIER -136.77 -63.75 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.586 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 121' ' ' SER . . . . . . . . . . . . . 7.1 p 66.27 53.87 0.99 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.007 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 122' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.14 -25.0 12.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.468 1.105 . . . . 0.0 109.331 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 123' ' ' TYR . . . . . 0.493 ' HD2' ' CD2' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -121.86 150.13 55.14 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.581 1.176 . . . . 0.0 110.959 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 124' ' ' PRO . . . . . 0.407 ' O ' ' O ' ' B' ' 125' ' ' LEU . 18.2 Cg_endo -75.0 54.88 3.78 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.599 1.841 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 125' ' ' LEU . . . . . 0.535 HD22 ' CB ' ' A' ' 76' ' ' ASN . 17.0 mt 59.74 152.25 0.09 OUTLIER Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.575 1.172 . . . . 0.0 109.319 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 126' ' ' PRO . . . . . 0.567 ' HD3' ' CZ2' ' A' ' 59' ' ' TRP . 18.2 Cg_endo -75.02 167.25 27.45 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.54 1.811 . . . . 0.0 110.982 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 127' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 120.4 6.07 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.436 1.756 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.581 ' CD1' ' CE2' ' A' ' 32' ' ' TYR . 2.4 mm? -62.57 131.84 94.23 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 129' ' ' PRO . . . . . 0.441 ' HD3' ' CE1' ' A' ' 77' ' ' TYR . 18.5 Cg_endo -75.03 -29.76 7.84 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.479 1.778 . . . . 0.0 110.987 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 56.15 105.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.95 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 131' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.47 -31.57 64.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.543 1.152 . . . . 0.0 109.327 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 132' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_