data_1ho9_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 1ho9 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -9.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.56 -18.89 53.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.9 mm -75.17 -56.76 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.39 -31.02 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -64.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -64.0 -37.1 86.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -49.88 -63.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.99 -67.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt -42.12 -59.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 t -46.01 -60.95 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -40.74 -60.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mt -45.4 -58.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -52.47 -25.32 9.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . 41.6 m-85 -114.13 24.88 11.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ILE . 3.1 p-90 -69.86 -38.99 76.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 t -67.99 67.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -160.39 -44.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -65.73 -55.95 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.29 -52.11 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 tt -113.71 -43.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 -59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -40.44 -51.91 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 p -66.07 -11.99 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -79.53 -20.77 46.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.5 mt -58.7 -44.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -53.96 -47.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.451 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 12.6 t60 -45.36 -57.57 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.611 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.28 53.04 2.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 t -145.98 -63.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.12 60.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.1 mt -52.09 -51.23 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.17 44.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 tp -107.61 -59.06 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -46.93 -61.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -20.88 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -114.43 19.2 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.8 p-90 -69.2 -39.87 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -67.07 70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -164.53 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.0 m -47.22 -30.67 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -45.5 -26.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.224 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.16 68.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.7 mt -151.3 -70.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -30.92 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.24 -52.1 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -95.73 20.7 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 -19.69 12.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.8 mm -85.3 -57.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.77 -61.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.74 -51.01 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 mt -86.27 51.86 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.13 -65.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -45.61 -49.03 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -42.73 -55.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.15 37.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 9' ' ' ALA . 5.4 tp -126.9 36.35 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mp -138.9 -50.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -69.81 -25.26 63.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -95.02 32.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 11.0 t-105 -110.76 170.36 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 108.055 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER 60.49 34.86 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.991 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt -144.2 -47.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -63.6 -57.58 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -40.57 -52.5 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 66.39 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tt -119.31 -43.57 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -54.37 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -50.62 -52.69 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -10.31 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -78.06 -14.51 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mm -81.8 -60.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.4 t -40.59 -53.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -41.58 -59.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.591 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.0 mt -43.43 -56.8 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -43.52 -59.5 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.49 -60.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mt -44.51 -59.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 t -44.39 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' TRP . 8.5 tp -42.24 -64.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mt -44.63 -64.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -46.67 -30.93 2.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' LEU . 45.6 m-85 -113.63 35.56 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ILE . 4.6 p-90 -79.28 -37.92 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 63.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -155.43 -46.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.41 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 16.3 m -48.11 -36.97 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.92 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.48 56.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.6 mt -147.08 -62.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 -54.79 4.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -47.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -100.15 -11.96 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -82.42 -17.76 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.7 mm -65.88 -60.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -46.44 -60.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -41.95 -61.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -40.47 -60.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 t -44.12 -60.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.37 -64.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mt -41.03 -60.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -43.95 -60.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TRP . 1.5 tp -40.63 -53.38 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 16' ' ' TRP . 4.7 mt -57.85 -61.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -50.42 -22.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' SER . 5.7 m-85 -95.75 -20.94 18.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -44.37 -44.23 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.461 ' N ' ' CD1' ' A' ' 16' ' ' TRP . 71.0 m -62.79 79.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -176.75 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -58.57 -52.52 65.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -45.14 -46.11 11.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.8 68.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 6.3 tt -93.77 -48.15 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -100.8 -56.84 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -42.44 -50.41 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m -94.56 9.04 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -99.28 -18.45 17.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.9 mm -70.2 -50.23 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.3 -53.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -46.15 -61.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -85.64 54.86 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -154.99 -63.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -35.9 68.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -53.91 -38.53 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' HG23 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -104.67 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.23 -52.57 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' TYR . 5.0 mp -54.51 -74.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.83 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.2 m-85 -90.78 43.68 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' SER . 25.0 t-105 -126.99 170.02 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.94 37.13 28.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -145.36 -47.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 20' ' ' GLN . 8.1 t -41.48 -43.38 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 19' ' ' THR . 17.5 mt-30 -44.2 -40.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.22 67.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 mm -131.15 -59.76 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -55.84 3.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.89 -51.98 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.397 -0.224 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -9.36 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -9.17 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.2 -53.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -44.5 -56.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -42.69 -60.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 -61.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -53.56 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.83 -63.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -41.78 -69.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' TYR . 15.1 m -41.11 -61.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -40.58 -59.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 mt -55.78 -46.83 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -12.76 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' SER . 9.0 m-85 -118.1 5.88 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -59.58 -40.86 88.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.022 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.63 70.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -177.07 -39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.466 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.0 p -43.62 -54.0 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.27 -29.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 18' ' ' ILE . . . -129.44 86.37 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 6.3 mt -128.02 -58.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.03 -41.29 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -60.52 -50.39 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -67.06 -9.79 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -13.03 59.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.3 mm -90.19 -51.9 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -44.02 -53.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -44.07 -61.79 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -52.88 -54.7 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.47 -57.07 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -41.7 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mt -44.85 -45.59 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -99.26 35.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' CYS . 1.1 tt -106.12 -46.17 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' TYR . 3.8 mp -63.99 -79.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.76 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.2 m-85 -90.34 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 17' ' ' SER . 22.7 t-105 -126.03 170.08 12.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.043 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.537 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.78 37.06 28.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 mm -148.8 -47.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.2 m -68.65 -47.1 67.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -25.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -101.66 -93.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 22.0 mt 66.76 -72.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.0 mt-10 -83.7 -61.2 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -70.01 -9.14 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.67 -9.03 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.3 mt -104.22 -49.74 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.14 -50.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.484 ' CD2' HD11 ' A' ' 10' ' ' ILE . 37.0 t60 -46.39 -50.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.0 mt -53.88 -53.7 48.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 -58.44 7.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.44 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.484 HD11 ' CD2' ' A' ' 6' ' ' HIS . 16.3 mt -47.97 -41.68 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 t -93.64 44.6 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -141.25 -55.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -56.83 -69.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -46.07 -28.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.14 34.29 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.5 p-90 -82.9 -38.79 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 18' ' ' ILE . 22.8 t -69.42 60.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.42 -44.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m -71.63 -55.29 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -51.38 -21.8 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.43 60.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 25.4 mt -123.13 -54.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.97 -59.72 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.78 -49.5 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -11.14 48.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.91 -17.41 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.83 -54.25 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.0 t -42.18 -56.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -42.46 -62.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.8 mt -50.75 -56.79 10.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.68 -55.35 4.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 108.34 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.18 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -45.85 -58.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' LEU . 4.8 t -47.91 -57.81 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -40.59 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 mt -46.44 -66.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -112.62 41.13 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -85.38 -37.35 19.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.65 60.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.425 ' CG2' ' N ' ' A' ' 19' ' ' THR . 1.9 tp -142.36 -47.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.0 t -47.75 -43.98 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -56.89 -27.41 60.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -111.46 48.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -143.79 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -57.9 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -38.02 -56.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -110.87 -10.13 14.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.83 -18.76 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.5 mt -69.8 -62.4 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -41.81 -60.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.82 -60.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.2 mt -44.26 -54.47 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -44.82 -63.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.88 -63.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mt -47.41 -59.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -47.78 -57.33 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -46.85 -43.92 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -56.57 -43.05 79.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -84.4 8.81 15.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 10.2 t-105 -103.55 170.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 27.0 t 60.95 37.56 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.943 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 mm -148.01 -47.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -47.61 -49.82 25.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -26.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.18 -48.1 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.6 mt -49.1 -63.1 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -46.55 -57.45 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -39.51 -49.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -9.97 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -83.51 -19.67 35.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.46 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 28.4 mm -71.75 -27.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -82.45 -3.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -41.09 10.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.579 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 4' ' ' ILE . 1.3 pp -75.21 -40.94 58.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 9' ' ' ALA . 21.7 p -43.25 -44.64 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . . . -69.32 -51.92 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.9 mt -50.5 -42.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.42 75.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.48 -59.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -50.0 -63.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -44.4 -34.64 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -112.47 40.41 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -83.08 -37.51 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -69.39 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 16' ' ' TRP . 2.8 tp -153.05 -46.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.406 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 53.9 m -45.31 -38.96 6.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.08 -25.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 49.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mt -145.34 -69.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -55.36 -59.19 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.22 -56.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -76.3 -9.08 58.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.41 -18.98 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.52 -40.54 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.94 -14.37 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -91.9 -11.36 36.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.7 mt -107.17 -35.09 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -44.39 -45.21 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.3 -60.84 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.0 mm -41.18 -42.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.86 76.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -136.2 -53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.08 -70.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -27.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -114.42 32.35 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.4 p-90 -80.66 -38.67 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 108.032 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.499 ' O ' ' CD1' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -69.48 60.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.37 -44.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -62.69 -13.56 33.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -77.35 -25.36 51.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 43.58 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.4 mt -131.42 -66.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -52.83 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.99 -34.85 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -71.94 -12.05 61.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -94.25 44.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mm -147.82 -59.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -50.69 -48.15 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -47.23 -54.87 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 50.8 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -152.16 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.74 -39.93 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.06 -49.5 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -94.42 32.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -56.69 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' TYR . 2.7 mp -58.39 -71.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' ILE . 10.1 mmt85 -38.78 -29.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.0 m-85 -90.76 44.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.539 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.3 t-105 -128.93 170.07 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.967 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.99 36.32 26.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mt -149.79 -46.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -46.53 -37.55 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -55.38 -39.76 70.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 66.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 3.4 tt -134.96 -50.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 11.3 mm-40 -83.69 -52.2 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -49.82 -30.95 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -73.3 -11.28 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -17.22 57.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mt -69.86 -61.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -40.73 -59.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -40.37 -62.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.74 -53.56 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -43.86 -60.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' CYS . . . -40.45 -60.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.26 -54.33 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.39 44.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -102.54 -60.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.38 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mp -58.69 -44.8 90.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -19.23 16.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -108.65 18.56 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.4 t-105 -102.96 170.31 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.557 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 60.64 38.0 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.937 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.99 -47.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 20' ' ' GLN . 11.5 t -39.63 -49.68 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.405 ' N ' HG22 ' A' ' 19' ' ' THR . 2.1 mp0 -43.75 -53.42 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.83 70.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tt -118.51 -40.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.57 -29.66 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -62.9 -51.98 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -68.17 -11.03 58.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.947 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -18.61 62.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mp -81.6 -55.7 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.94 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -40.49 -59.31 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.666 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.5 mt -49.3 -57.05 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.34 -61.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.47 -61.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -40.9 -55.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -53.42 -56.8 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -50.03 -52.11 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -47.39 -49.53 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -91.71 25.13 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 17' ' ' SER . 6.8 t-105 -109.2 170.29 8.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.053 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 63.18 23.56 13.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 tt -123.71 -43.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 4.9 t -47.58 -40.99 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -44.55 -26.35 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -99.92 -94.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 19.6 mt 66.69 -72.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -83.07 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -40.41 -38.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -104.12 44.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.42 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.25 -30.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -61.61 -45.3 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -52.65 -58.77 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.561 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pp -82.69 52.76 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -151.04 -63.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.56 -54.16 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mt -44.97 -46.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 41.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -144.18 -68.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 15' ' ' TYR . 3.5 mp -52.79 -72.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -38.71 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' ILE . 20.9 m-85 -90.64 44.56 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.1 t-105 -128.58 170.06 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.96 36.4 26.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -150.55 -46.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -60.85 -52.92 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -44.77 -46.57 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 64.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 tt -118.16 -43.62 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -101.44 -53.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 6.2 t80 -41.0 -50.21 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -82.66 -10.47 58.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 33.0 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.438 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 35.0 mt -134.63 -64.3 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.49 -25.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -68.99 -37.96 79.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -56.9 -60.22 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.03 -62.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -46.32 -49.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 44.69 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tt -124.66 -58.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 mt -48.35 -66.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.42 -34.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.3 43.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ILE . 5.6 p-90 -88.27 -37.47 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -69.55 60.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 19' ' ' THR . 1.2 tp -144.82 -47.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.423 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.2 t -41.38 -42.36 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.4 ' N ' HG21 ' A' ' 19' ' ' THR . 1.7 mt-30 -43.05 -28.67 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.94 -48.64 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.9 mt -41.35 -63.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -39.02 -61.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -47.36 -41.05 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -66.59 -10.51 46.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -71.45 -18.37 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 9.3 mm -79.97 -59.33 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -49.76 -35.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -47.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -54.43 -33.16 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -57.5 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.05 -54.14 3.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -45.55 -42.85 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -100.62 40.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' TRP . 2.5 tp -141.3 -64.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -49.99 -66.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -27.49 1.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -114.33 32.23 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.8 p-90 -78.96 -38.51 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -68.39 65.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -157.39 -45.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -54.99 -49.13 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -41.15 -30.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.02 -49.18 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.6 mt -44.66 -63.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -37.09 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.27 -54.42 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -9.42 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -17.03 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' VAL . 46.2 mt -76.65 -59.85 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' ILE . 62.7 t -40.53 -56.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -41.41 -58.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.565 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 mt -45.87 -50.04 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -45.6 -63.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.19 -60.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 mt -41.72 -53.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.01 76.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 tp -169.94 -64.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -47.68 -66.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -33.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -112.89 39.25 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.3 p-90 -82.25 -37.58 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 107.965 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -69.36 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -145.68 -47.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.431 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.8 t -47.58 -35.44 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -41.68 -30.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 57.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.6 mt -144.07 -59.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.06 -56.55 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -40.06 -53.3 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -9.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.56 -18.89 53.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.9 mm -75.17 -56.76 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.39 -31.02 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -64.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -64.0 -37.1 86.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -49.88 -63.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.99 -67.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt -42.12 -59.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 t -46.01 -60.95 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -40.74 -60.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mt -45.4 -58.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -52.47 -25.32 9.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . 41.6 m-85 -114.13 24.88 11.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ILE . 3.1 p-90 -69.86 -38.99 76.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 t -67.99 67.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -160.39 -44.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -65.73 -55.95 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.29 -52.11 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 tt -113.71 -43.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 -59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -40.44 -51.91 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -48.76 -54.14 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -61.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 72.46 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -43.95 166.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.278 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m 62.03 66.19 1.49 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.54 9.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 61.1 142.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 p -66.07 -11.99 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -79.53 -20.77 46.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.5 mt -58.7 -44.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -53.96 -47.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.451 ' N ' ' CG1' ' A' ' 5' ' ' VAL . 12.6 t60 -45.36 -57.57 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.611 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.28 53.04 2.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 t -145.98 -63.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.12 60.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.1 mt -52.09 -51.23 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.17 44.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 tp -107.61 -59.06 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -46.93 -61.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -20.88 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -114.43 19.2 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.8 p-90 -69.2 -39.87 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -67.07 70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -164.53 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.0 m -47.22 -30.67 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -45.5 -26.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.224 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.16 68.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.7 mt -151.3 -70.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -30.92 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.24 -52.1 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -49.1 -50.04 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tt -42.9 -56.19 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.45 94.25 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -98.91 160.23 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.3 m 62.7 69.66 0.86 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.426 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.55 38.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 51.72 101.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -95.73 20.7 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 -19.69 12.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.8 mm -85.3 -57.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.77 -61.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.74 -51.01 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 mt -86.27 51.86 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.13 -65.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -45.61 -49.03 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -42.73 -55.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.15 37.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 9' ' ' ALA . 5.4 tp -126.9 36.35 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 mp -138.9 -50.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -69.81 -25.26 63.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -95.02 32.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 11.0 t-105 -110.76 170.36 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 108.055 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER 60.49 34.86 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.991 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt -144.2 -47.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -63.6 -57.58 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -40.57 -52.5 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 66.39 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tt -119.31 -43.57 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -54.37 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -50.62 -52.69 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -50.8 68.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 tp -44.43 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.82 90.61 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 156.48 7.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -157.78 87.36 2.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 153.92 41.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -178.08 136.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -10.31 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -78.06 -14.51 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mm -81.8 -60.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.4 t -40.59 -53.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -41.58 -59.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.591 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.0 mt -43.43 -56.8 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -43.52 -59.5 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.49 -60.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mt -44.51 -59.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 t -44.39 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' TRP . 8.5 tp -42.24 -64.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 8.0 mt -44.63 -64.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -46.67 -30.93 2.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' LEU . 45.6 m-85 -113.63 35.56 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ILE . 4.6 p-90 -79.28 -37.92 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 63.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -155.43 -46.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.41 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 16.3 m -48.11 -36.97 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.92 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.48 56.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.6 mt -147.08 -62.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 -54.79 4.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -47.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -51.64 -53.21 41.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.5 pp -91.66 53.88 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.2 64.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -93.66 110.87 22.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.36 154.45 79.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.38 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.99 32.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -179.97 96.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -100.15 -11.96 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 p -82.42 -17.76 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.963 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.7 mm -65.88 -60.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -46.44 -60.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -41.95 -61.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.576 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -40.47 -60.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 t -44.12 -60.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.37 -64.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mt -41.03 -60.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -43.95 -60.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TRP . 1.5 tp -40.63 -53.38 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 16' ' ' TRP . 4.7 mt -57.85 -61.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -50.42 -22.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' SER . 5.7 m-85 -95.75 -20.94 18.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -44.37 -44.23 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.461 ' N ' ' CD1' ' A' ' 16' ' ' TRP . 71.0 m -62.79 79.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -176.75 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -58.57 -52.52 65.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -45.14 -46.11 11.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.8 68.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 6.3 tt -93.77 -48.15 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -100.8 -56.84 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -42.44 -50.41 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -49.61 -55.19 14.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -84.06 60.46 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -174.43 67.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.74 133.74 52.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 16.9 m 52.13 81.04 0.27 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.24 121.34 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m -94.56 9.04 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.417 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -99.28 -18.45 17.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 21.9 mm -70.2 -50.23 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.3 -53.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -46.15 -61.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.417 ' CD2' ' O ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -85.64 54.86 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -154.99 -63.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -35.9 68.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.41 HG23 ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -53.91 -38.53 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.41 ' N ' HG23 ' A' ' 10' ' ' ILE . 0.1 OUTLIER -104.67 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.23 -52.57 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 15' ' ' TYR . 5.0 mp -54.51 -74.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.83 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.2 m-85 -90.78 43.68 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' SER . 25.0 t-105 -126.99 170.02 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.94 37.13 28.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -145.36 -47.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.405 HG23 ' N ' ' A' ' 20' ' ' GLN . 8.1 t -41.48 -43.38 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.405 ' N ' HG23 ' A' ' 19' ' ' THR . 17.5 mt-30 -44.2 -40.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.22 67.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 11.9 mm -131.15 -59.76 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -92.53 -55.84 3.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.89 -51.98 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -49.64 -56.01 11.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 mt -105.17 59.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -173.64 64.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -114.57 126.74 55.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.64 154.45 73.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.36 6.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -161.92 130.82 4.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 110.35 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.397 -0.224 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -9.36 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -9.17 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.2 -53.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -44.5 -56.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.2 t60 -42.69 -60.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -40.9 -61.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -53.56 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.83 -63.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -41.78 -69.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' TYR . 15.1 m -41.11 -61.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.4 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -40.58 -59.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 15.2 mt -55.78 -46.83 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -12.76 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' SER . 9.0 m-85 -118.1 5.88 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -59.58 -40.86 88.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.022 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.63 70.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.455 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -177.07 -39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.466 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.0 p -43.62 -54.0 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.27 -29.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.455 ' O ' ' CD1' ' A' ' 18' ' ' ILE . . . -129.44 86.37 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.466 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 6.3 mt -128.02 -58.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.03 -41.29 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -60.52 -50.39 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -55.18 -53.42 56.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tt -40.71 -60.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 71.27 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.35 134.35 6.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.44 154.45 80.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.65 6.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.8 110.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 tpt85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -67.06 -9.79 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -13.03 59.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.3 mm -90.19 -51.9 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -44.02 -53.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -44.07 -61.79 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.6 mt -52.88 -54.7 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.47 -57.07 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -41.7 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.8 mt -44.85 -45.59 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -99.26 35.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' CYS . 1.1 tt -106.12 -46.17 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' TYR . 3.8 mp -63.99 -79.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.76 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.2 m-85 -90.34 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 17' ' ' SER . 22.7 t-105 -126.03 170.08 12.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.043 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.537 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.78 37.06 28.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 mm -148.8 -47.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.2 m -68.65 -47.1 67.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -25.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -101.66 -93.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 22.0 mt 66.76 -72.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.0 mt-10 -83.7 -61.2 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -56.21 -61.86 2.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 44.55 62.15 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt 56.64 79.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 65.24 135.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.68 154.46 42.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.49 8.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.752 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -153.47 118.58 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -70.01 -9.14 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.67 -9.03 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.3 mt -104.22 -49.74 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.14 -50.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.484 ' CD2' HD11 ' A' ' 10' ' ' ILE . 37.0 t60 -46.39 -50.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.0 mt -53.88 -53.7 48.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 -58.44 7.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.44 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.484 HD11 ' CD2' ' A' ' 6' ' ' HIS . 16.3 mt -47.97 -41.68 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 t -93.64 44.6 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -141.25 -55.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -56.83 -69.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -46.07 -28.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.14 34.29 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.5 p-90 -82.9 -38.79 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.489 ' O ' ' CD1' ' A' ' 18' ' ' ILE . 22.8 t -69.42 60.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.42 -44.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.461 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m -71.63 -55.29 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -51.38 -21.8 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.43 60.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.461 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 25.4 mt -123.13 -54.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.97 -59.72 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.78 -49.5 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -56.31 -63.16 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 tp -45.31 -63.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -93.22 69.08 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.18 123.72 4.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.22 154.38 73.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 70.54 5.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.4 ttp-105 40.64 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -11.14 48.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.91 -17.41 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.83 -54.25 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.0 t -42.18 -56.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -42.46 -62.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.8 mt -50.75 -56.79 10.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.68 -55.35 4.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 108.34 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.18 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -45.85 -58.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' LEU . 4.8 t -47.91 -57.81 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -40.59 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 mt -46.44 -66.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -112.62 41.13 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -85.38 -37.35 19.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.65 60.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.425 ' CG2' ' N ' ' A' ' 19' ' ' THR . 1.9 tp -142.36 -47.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.0 t -47.75 -43.98 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -56.89 -27.41 60.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -111.46 48.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.8 mt -143.79 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -57.9 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -38.02 -56.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -60.16 -58.63 7.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.68 -43.82 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -121.86 -131.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' THR . 53.8 ttp180 -178.97 149.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ARG . 25.2 m 38.86 81.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 112.4 3.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -134.52 120.32 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 1.1 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -110.87 -10.13 14.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.83 -18.76 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 8.5 mt -69.8 -62.4 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -41.81 -60.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.82 -60.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.2 mt -44.26 -54.47 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -44.82 -63.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.88 -63.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mt -47.41 -59.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -47.78 -57.33 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -46.85 -43.92 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -56.57 -43.05 79.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -84.4 8.81 15.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 10.2 t-105 -103.55 170.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 27.0 t 60.95 37.56 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.943 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.2 mm -148.01 -47.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -47.61 -49.82 25.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -26.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.18 -48.1 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.6 mt -49.1 -63.1 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -46.55 -57.45 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -39.51 -49.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -51.97 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mt -92.95 65.21 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.54 88.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -179.36 114.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.95 155.51 44.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -156.58 95.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -9.97 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -83.51 -19.67 35.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.46 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 28.4 mm -71.75 -27.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -82.45 -3.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -41.09 10.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.579 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.46 ' CD2' ' HA ' ' A' ' 4' ' ' ILE . 1.3 pp -75.21 -40.94 58.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 9' ' ' ALA . 21.7 p -43.25 -44.64 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . . . -69.32 -51.92 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.9 mt -50.5 -42.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.42 75.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.48 -59.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -50.0 -63.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -44.4 -34.64 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -112.47 40.41 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -83.08 -37.51 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -69.39 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.414 ' N ' ' O ' ' A' ' 16' ' ' TRP . 2.8 tp -153.05 -46.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.406 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 53.9 m -45.31 -38.96 6.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.08 -25.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 49.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mt -145.34 -69.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 26' ' ' LEU . 3.7 tt0 -55.36 -59.19 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.22 -56.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -39.93 94.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -56.19 -59.97 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -92.14 70.5 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 95.83 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -118.02 83.21 18.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 73.05 4.42 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.97 138.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -76.3 -9.08 58.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.41 -18.98 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.52 -40.54 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.94 -14.37 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -91.9 -11.36 36.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.7 mt -107.17 -35.09 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -44.39 -45.21 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.3 -60.84 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 30.0 mm -41.18 -42.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.86 76.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -136.2 -53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.08 -70.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -27.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -114.42 32.35 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.4 p-90 -80.66 -38.67 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 108.032 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.499 ' O ' ' CD1' ' A' ' 18' ' ' ILE . 1.0 OUTLIER -69.48 60.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.37 -44.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.2 m -62.69 -13.56 33.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -77.35 -25.36 51.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 43.58 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.4 mt -131.42 -66.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -52.83 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.99 -34.85 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.22 34.86 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 tp -96.88 68.38 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.51 71.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.66 164.26 2.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.27 88.64 28.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.07 4.64 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 4.1 tmt_? 179.94 146.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -71.94 -12.05 61.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -94.25 44.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mm -147.82 -59.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -50.69 -48.15 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -47.23 -54.87 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 50.8 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -152.16 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.74 -39.93 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.06 -49.5 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -94.42 32.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -56.69 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' TYR . 2.7 mp -58.39 -71.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' ILE . 10.1 mmt85 -38.78 -29.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.0 m-85 -90.76 44.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.539 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.3 t-105 -128.93 170.07 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.967 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.99 36.32 26.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mt -149.79 -46.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -46.53 -37.55 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -55.38 -39.76 70.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 66.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 3.4 tt -134.96 -50.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 11.3 mm-40 -83.69 -52.2 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -49.82 -30.95 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.11 28.81 6.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 27' ' ' LYS . 17.1 tp -82.88 62.56 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 39.07 62.61 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 mtp-105 -140.74 170.51 15.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.26 154.44 50.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.64 4.31 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.59 107.4 13.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -73.3 -11.28 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -17.22 57.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mt -69.86 -61.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -40.73 -59.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -40.37 -62.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.74 -53.56 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -43.86 -60.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' CYS . . . -40.45 -60.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.26 -54.33 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.39 44.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.0 tt -102.54 -60.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.38 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 4.9 mp -58.69 -44.8 90.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -19.23 16.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -108.65 18.56 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.4 t-105 -102.96 170.31 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.557 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 60.64 38.0 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.937 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.99 -47.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 20' ' ' GLN . 11.5 t -39.63 -49.68 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.405 ' N ' HG22 ' A' ' 19' ' ' THR . 2.1 mp0 -43.75 -53.42 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.83 70.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tt -118.51 -40.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.57 -29.66 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -62.9 -51.98 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -55.84 -37.37 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.47 -40.92 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -124.01 -131.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? 61.12 113.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.3 154.31 77.05 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 70.18 5.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.05 102.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -68.17 -11.03 58.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.947 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -18.61 62.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mp -81.6 -55.7 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.94 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -40.49 -59.31 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.666 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.5 mt -49.3 -57.05 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.34 -61.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.47 -61.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -40.9 -55.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -53.42 -56.8 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -50.03 -52.11 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -47.39 -49.53 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -91.71 25.13 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 17' ' ' SER . 6.8 t-105 -109.2 170.29 8.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.053 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 63.18 23.56 13.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 tt -123.71 -43.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.451 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 4.9 t -47.58 -40.99 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -44.55 -26.35 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -99.92 -94.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.451 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 19.6 mt 66.69 -72.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.9 OUTLIER -83.07 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' LYS . 99.1 m-85 -40.41 -38.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -47.08 -42.38 18.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -37.9 75.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -120.86 -131.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 62.28 86.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.48 154.38 81.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 111.83 3.42 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.66 140.07 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -104.12 44.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.42 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.25 -30.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -61.61 -45.3 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t-80 -52.65 -58.77 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.561 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 pp -82.69 52.76 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -151.04 -63.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -52.56 -54.16 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.8 mt -44.97 -46.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 41.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -144.18 -68.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.437 ' O ' ' N ' ' A' ' 15' ' ' TYR . 3.5 mp -52.79 -72.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -38.71 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' ILE . 20.9 m-85 -90.64 44.56 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.1 t-105 -128.58 170.06 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.96 36.4 26.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -150.55 -46.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -60.85 -52.92 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -44.77 -46.57 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 64.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 tt -118.16 -43.62 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -101.44 -53.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 6.2 t80 -41.0 -50.21 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -50.39 -54.01 24.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 tt -43.67 -62.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -113.46 82.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.93 152.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 4.4 m -152.16 75.5 7.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 126.94 10.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -135.06 55.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 27.3 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -82.66 -10.47 58.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 33.0 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.438 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 35.0 mt -134.63 -64.3 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.49 -25.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.438 ' CD2' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -68.99 -37.96 79.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.418 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -56.9 -60.22 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.03 -62.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -46.32 -49.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 44.69 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tt -124.66 -58.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 mt -48.35 -66.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.42 -34.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.3 43.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ILE . 5.6 p-90 -88.27 -37.47 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -69.55 60.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 19' ' ' THR . 1.2 tp -144.82 -47.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.423 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.2 t -41.38 -42.36 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.4 ' N ' HG21 ' A' ' 19' ' ' THR . 1.7 mt-30 -43.05 -28.67 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.94 -48.64 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.9 mt -41.35 -63.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -39.02 -61.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -47.36 -41.05 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -102.82 30.11 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.5 tt -107.14 -59.46 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.52 94.73 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -177.95 80.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.245 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' ARG . 21.1 p -36.78 97.66 0.14 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.99 101.1 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 111.034 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.53 110.44 9.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -66.59 -10.51 46.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -71.45 -18.37 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.489 ' O ' ' CD2' ' A' ' 7' ' ' LEU . 9.3 mm -79.97 -59.33 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -49.76 -35.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -47.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -54.43 -33.16 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -57.5 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.05 -54.14 3.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 35.7 mt -45.55 -42.85 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -100.62 40.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' TRP . 2.5 tp -141.3 -64.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 1.7 mp -49.99 -66.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -27.49 1.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -114.33 32.23 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.8 p-90 -78.96 -38.51 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -68.39 65.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -157.39 -45.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -54.99 -49.13 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 tp-100 -41.15 -30.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.02 -49.18 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.6 mt -44.66 -63.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -37.09 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.27 -54.42 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.08 -47.17 34.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.38 61.05 6.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -175.09 115.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.09 115.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.477 ' CG2' ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -147.75 146.6 24.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.477 ' HD2' ' CG2' ' A' ' 29' ' ' THR . 18.3 Cg_endo -75.08 134.48 17.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.758 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.417 ' NH1' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -177.63 109.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -9.42 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -17.03 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' VAL . 46.2 mt -76.65 -59.85 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' ILE . 62.7 t -40.53 -56.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -41.41 -58.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.565 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 20.2 mt -45.87 -50.04 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -45.6 -63.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.19 -60.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.2 mt -41.72 -53.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.01 76.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 tp -169.94 -64.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -47.68 -66.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -33.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -112.89 39.25 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.3 p-90 -82.25 -37.58 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 107.965 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -69.36 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -145.68 -47.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.431 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 1.8 t -47.58 -35.44 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -41.68 -30.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 57.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.6 mt -144.07 -59.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -88.06 -56.55 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.548 ' CD2' ' HD3' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -40.06 -53.3 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.91 -41.09 77.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -47.96 -48.68 32.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -122.46 -131.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.548 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 5.7 ttp-105 59.42 154.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.31 155.62 73.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.03 27.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -161.12 97.61 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -9.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.56 -18.89 53.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.9 mm -75.17 -56.76 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.39 -31.02 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -64.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -64.0 -37.1 86.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -49.88 -63.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.99 -67.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt -42.12 -59.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 t -46.01 -60.95 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -40.74 -60.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mt -45.4 -58.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -52.47 -25.32 9.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . 41.6 m-85 -114.13 24.88 11.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ILE . 3.1 p-90 -69.86 -38.99 76.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 t -67.99 67.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -160.39 -44.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -65.73 -55.95 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.29 -52.11 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 tt -113.71 -43.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 -59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -40.44 -51.91 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 p -66.07 -11.99 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -79.53 -20.77 46.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.5 mt -58.7 -44.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -53.96 -47.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.506 ' O ' HD12 ' A' ' 10' ' ' ILE . 12.6 t60 -45.36 -57.57 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.611 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.28 53.04 2.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 t -145.98 -63.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.12 60.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 6' ' ' HIS . 6.1 mt -52.09 -51.23 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.17 44.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 tp -107.61 -59.06 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -46.93 -61.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -20.88 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -114.43 19.2 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.8 p-90 -69.2 -39.87 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -67.07 70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -164.53 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 22' ' ' ILE . 17.0 m -47.22 -30.67 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -45.5 -26.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.224 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.16 68.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 19' ' ' THR . 40.7 mt -151.3 -70.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -30.92 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.24 -52.1 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -95.73 20.7 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 -19.69 12.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.8 mm -85.3 -57.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.77 -61.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.74 -51.01 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 mt -86.27 51.86 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.13 -65.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.508 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -45.61 -49.03 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -42.73 -55.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.15 37.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 9' ' ' ALA . 5.4 tp -126.9 36.35 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 9' ' ' ALA . 2.7 mp -138.9 -50.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -69.81 -25.26 63.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -95.02 32.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 11.0 t-105 -110.76 170.36 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 108.055 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER 60.49 34.86 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.991 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt -144.2 -47.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -63.6 -57.58 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -40.57 -52.5 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 66.39 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tt -119.31 -43.57 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -54.37 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -50.62 -52.69 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -10.31 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -78.06 -14.51 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mm -81.8 -60.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.4 t -40.59 -53.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.8 t-80 -41.58 -59.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.0 mt -43.43 -56.8 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -43.52 -59.5 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.62 ' C ' HD12 ' A' ' 13' ' ' ILE . . . -43.49 -60.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mt -44.51 -59.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 t -44.39 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' TRP . 8.5 tp -42.24 -64.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 9' ' ' ALA . 8.0 mt -44.63 -64.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -46.67 -30.93 2.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' LEU . 45.6 m-85 -113.63 35.56 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ILE . 4.6 p-90 -79.28 -37.92 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 63.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -155.43 -46.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.41 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 16.3 m -48.11 -36.97 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.92 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.48 56.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.6 mt -147.08 -62.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 -54.79 4.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -47.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -100.15 -11.96 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.562 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.4 p -82.42 -17.76 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.7 mm -65.88 -60.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -46.44 -60.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.427 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -41.95 -61.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.576 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 3' ' ' SER . 1.8 mm? -40.47 -60.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 t -44.12 -60.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -41.37 -64.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mt -41.03 -60.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -43.95 -60.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TRP . 1.5 tp -40.63 -53.38 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 16' ' ' TRP . 4.7 mt -57.85 -61.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -50.42 -22.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' SER . 5.7 m-85 -95.75 -20.94 18.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -44.37 -44.23 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.461 ' N ' ' CD1' ' A' ' 16' ' ' TRP . 71.0 m -62.79 79.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -176.75 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -58.57 -52.52 65.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -45.14 -46.11 11.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB1' ' HB2' ' A' ' 25' ' ' ASN . . . -115.8 68.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 6.3 tt -93.77 -48.15 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -100.8 -56.84 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -42.44 -50.41 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.593 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m -94.56 9.04 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.873 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -99.28 -18.45 17.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' A' ' 4' ' ' ILE . 21.9 mm -70.2 -50.23 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.3 -53.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -46.15 -61.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -85.64 54.86 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -154.99 -63.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -35.9 68.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.91 -38.53 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.67 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.23 -52.57 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.656 ' H ' HD12 ' A' ' 13' ' ' ILE . 5.0 mp -54.51 -74.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.83 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.2 m-85 -90.78 43.68 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' SER . 25.0 t-105 -126.99 170.02 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.94 37.13 28.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -145.36 -47.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -41.48 -43.38 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -44.2 -40.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.22 67.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.704 HG22 ' OE1' ' A' ' 23' ' ' GLU . 11.9 mm -131.15 -59.76 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.704 ' OE1' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -92.53 -55.84 3.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.89 -51.98 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.397 -0.224 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -9.36 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -9.17 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.2 -53.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -44.5 -56.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.583 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 55.2 t60 -42.69 -60.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -40.9 -61.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -53.56 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -43.83 -63.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -41.78 -69.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' TYR . 15.1 m -41.11 -61.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.588 HD23 HG13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -40.58 -59.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.588 HG13 HD23 ' A' ' 12' ' ' LEU . 15.2 mt -55.78 -46.83 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -12.76 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' SER . 9.0 m-85 -118.1 5.88 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -59.58 -40.86 88.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.022 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.63 70.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.473 HD13 ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -177.07 -39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.0 p -43.62 -54.0 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.27 -29.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' O ' HD13 ' A' ' 18' ' ' ILE . . . -129.44 86.37 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 6.3 mt -128.02 -58.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.03 -41.29 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -60.52 -50.39 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -67.06 -9.79 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -13.03 59.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.3 mm -90.19 -51.9 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -44.02 -53.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.41 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 t-80 -44.07 -61.79 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' A' ' 10' ' ' ILE . 6.6 mt -52.88 -54.7 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.47 -57.07 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -41.7 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 7' ' ' LEU . 5.8 mt -44.85 -45.59 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -99.26 35.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' CYS . 1.1 tt -106.12 -46.17 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' TYR . 3.8 mp -63.99 -79.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.76 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.2 m-85 -90.34 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 17' ' ' SER . 22.7 t-105 -126.03 170.08 12.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.043 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.537 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.78 37.06 28.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 18' ' ' ILE . 7.2 mm -148.8 -47.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.474 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.2 m -68.65 -47.1 67.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -25.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -101.66 -93.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 23' ' ' GLU . 22.0 mt 66.76 -72.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 22' ' ' ILE . 2.0 mt-10 -83.7 -61.2 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -70.01 -9.14 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.67 -9.03 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.432 ' HA ' HD12 ' A' ' 7' ' ' LEU . 27.3 mt -104.22 -49.74 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.14 -50.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.475 ' NE2' HD11 ' A' ' 10' ' ' ILE . 37.0 t60 -46.39 -50.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 4' ' ' ILE . 20.0 mt -53.88 -53.7 48.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 -58.44 7.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.44 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.475 HD11 ' NE2' ' A' ' 6' ' ' HIS . 16.3 mt -47.97 -41.68 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 t -93.64 44.6 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -141.25 -55.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -56.83 -69.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -46.07 -28.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.14 34.29 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.5 p-90 -82.9 -38.79 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' HD12 ' A' ' 18' ' ' ILE . 22.8 t -69.42 60.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.42 -44.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.48 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m -71.63 -55.29 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -51.38 -21.8 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.43 60.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 25.4 mt -123.13 -54.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.97 -59.72 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.78 -49.5 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -11.14 48.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.91 -17.41 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.83 -54.25 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.0 t -42.18 -56.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -42.46 -62.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.8 mt -50.75 -56.79 10.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.68 -55.35 4.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 108.34 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.18 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -45.85 -58.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' LEU . 4.8 t -47.91 -57.81 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -40.59 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 mt -46.44 -66.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -112.62 41.13 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -85.38 -37.35 19.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.65 60.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.461 HG23 HD12 ' A' ' 22' ' ' ILE . 1.9 tp -142.36 -47.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.0 t -47.75 -43.98 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -56.89 -27.41 60.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -111.46 48.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.461 HD12 HG23 ' A' ' 18' ' ' ILE . 29.8 mt -143.79 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -57.9 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -38.02 -56.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.519 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.1 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -110.87 -10.13 14.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.83 -18.76 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 1' ' ' THR . 8.5 mt -69.8 -62.4 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -41.81 -60.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.82 -60.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.2 mt -44.26 -54.47 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -44.82 -63.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.88 -63.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mt -47.41 -59.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -47.78 -57.33 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -46.85 -43.92 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -56.57 -43.05 79.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -84.4 8.81 15.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 10.2 t-105 -103.55 170.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 27.0 t 60.95 37.56 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.943 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.43 ' HA ' HD13 ' A' ' 18' ' ' ILE . 7.2 mm -148.01 -47.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -47.61 -49.82 25.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -26.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.18 -48.1 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.6 mt -49.1 -63.1 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -46.55 -57.45 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -39.51 -49.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -9.97 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -83.51 -19.67 35.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.54 ' HA ' HD21 ' A' ' 7' ' ' LEU . 28.4 mm -71.75 -27.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -82.45 -3.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -41.09 10.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.579 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 4' ' ' ILE . 1.3 pp -75.21 -40.94 58.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 9' ' ' ALA . 21.7 p -43.25 -44.64 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . . . -69.32 -51.92 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.9 mt -50.5 -42.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.42 75.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.48 -59.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -50.0 -63.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -44.4 -34.64 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -112.47 40.41 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -83.08 -37.51 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -69.39 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 18' ' ' ILE . 2.8 tp -153.05 -46.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.406 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 53.9 m -45.31 -38.96 6.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.08 -25.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 49.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mt -145.34 -69.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -55.36 -59.19 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.22 -56.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -76.3 -9.08 58.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.41 -18.98 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.52 -40.54 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.94 -14.37 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -91.9 -11.36 36.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.7 mt -107.17 -35.09 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -44.39 -45.21 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.3 -60.84 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 10' ' ' ILE . 30.0 mm -41.18 -42.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.86 76.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -136.2 -53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.08 -70.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -27.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -114.42 32.35 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.4 p-90 -80.66 -38.67 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 108.032 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.633 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -69.48 60.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.37 -44.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.2 m -62.69 -13.56 33.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -77.35 -25.36 51.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 43.58 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 19' ' ' THR . 26.4 mt -131.42 -66.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -52.83 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.99 -34.85 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -71.94 -12.05 61.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -94.25 44.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mm -147.82 -59.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -50.69 -48.15 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -47.23 -54.87 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 50.8 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -152.16 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.74 -39.93 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.06 -49.5 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -94.42 32.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -56.69 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' TYR . 2.7 mp -58.39 -71.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' ILE . 10.1 mmt85 -38.78 -29.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.0 m-85 -90.76 44.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.539 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.3 t-105 -128.93 170.07 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.967 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.99 36.32 26.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mt -149.79 -46.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -46.53 -37.55 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -55.38 -39.76 70.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 66.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 3.4 tt -134.96 -50.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 11.3 mm-40 -83.69 -52.2 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -49.82 -30.95 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -73.3 -11.28 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -17.22 57.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mt -69.86 -61.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -40.73 -59.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -40.37 -62.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.74 -53.56 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -43.86 -60.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' CYS . . . -40.45 -60.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.26 -54.33 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.39 44.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 12' ' ' LEU . 8.0 tt -102.54 -60.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.38 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.9 mp -58.69 -44.8 90.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -19.23 16.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -108.65 18.56 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.4 t-105 -102.96 170.31 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.557 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 60.64 38.0 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.937 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.99 -47.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 20' ' ' GLN . 11.5 t -39.63 -49.68 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.439 ' N ' HG23 ' A' ' 19' ' ' THR . 2.1 mp0 -43.75 -53.42 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.83 70.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tt -118.51 -40.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.57 -29.66 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -62.9 -51.98 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -68.17 -11.03 58.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.947 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -18.61 62.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mp -81.6 -55.7 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.94 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -40.49 -59.31 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.666 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.5 mt -49.3 -57.05 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.34 -61.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.47 -61.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -40.9 -55.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -53.42 -56.8 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -50.03 -52.11 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -47.39 -49.53 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -91.71 25.13 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 17' ' ' SER . 6.8 t-105 -109.2 170.29 8.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.053 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 63.18 23.56 13.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 tt -123.71 -43.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.483 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 4.9 t -47.58 -40.99 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -44.55 -26.35 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -99.92 -94.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 23' ' ' GLU . 19.6 mt 66.69 -72.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -83.07 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -40.41 -38.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -104.12 44.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.42 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.25 -30.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -61.61 -45.3 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.408 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.1 t-80 -52.65 -58.77 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.561 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.2 pp -82.69 52.76 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -151.04 -63.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -52.56 -54.16 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 6' ' ' HIS . 4.8 mt -44.97 -46.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 41.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -144.18 -68.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 9' ' ' ALA . 3.5 mp -52.79 -72.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -38.71 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' ILE . 20.9 m-85 -90.64 44.56 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.1 t-105 -128.58 170.06 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.96 36.4 26.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -150.55 -46.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -60.85 -52.92 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -44.77 -46.57 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 64.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 tt -118.16 -43.62 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -101.44 -53.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.408 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 6.2 t80 -41.0 -50.21 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' ' 4' ' ' ILE . 27.3 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -82.66 -10.47 58.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 33.0 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 1' ' ' THR . 35.0 mt -134.63 -64.3 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.49 -25.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -68.99 -37.96 79.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -56.9 -60.22 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.03 -62.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -46.32 -49.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 44.69 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tt -124.66 -58.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 mt -48.35 -66.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.42 -34.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.3 43.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ILE . 5.6 p-90 -88.27 -37.47 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -69.55 60.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 19' ' ' THR . 1.2 tp -144.82 -47.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.423 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.2 t -41.38 -42.36 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -43.05 -28.67 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.94 -48.64 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.9 mt -41.35 -63.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -39.02 -61.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -47.36 -41.05 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -66.59 -10.51 46.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -71.45 -18.37 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.691 ' O ' HD23 ' A' ' 7' ' ' LEU . 9.3 mm -79.97 -59.33 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -49.76 -35.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.466 ' CE1' HD11 ' A' ' 10' ' ' ILE . 39.5 t60 -47.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.691 HD23 ' O ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -54.43 -33.16 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -57.5 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.05 -54.14 3.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.466 HD11 ' CE1' ' A' ' 6' ' ' HIS . 35.7 mt -45.55 -42.85 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -100.62 40.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' TRP . 2.5 tp -141.3 -64.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' TRP . 1.7 mp -49.99 -66.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -27.49 1.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -114.33 32.23 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.8 p-90 -78.96 -38.51 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -68.39 65.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -157.39 -45.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -54.99 -49.13 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.402 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 4.3 tp-100 -41.15 -30.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.02 -49.18 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.6 mt -44.66 -63.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -37.09 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.27 -54.42 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -9.42 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -17.03 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 7' ' ' LEU . 46.2 mt -76.65 -59.85 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' ILE . 62.7 t -40.53 -56.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.518 ' NE2' HD11 ' A' ' 10' ' ' ILE . 59.8 t60 -41.41 -58.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.565 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 10' ' ' ILE . 20.2 mt -45.87 -50.04 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -45.6 -63.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.19 -60.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 7' ' ' LEU . 17.2 mt -41.72 -53.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.01 76.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 tp -169.94 -64.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -47.68 -66.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -33.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -112.89 39.25 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.3 p-90 -82.25 -37.58 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 107.965 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -69.36 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -145.68 -47.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.686 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.8 t -47.58 -35.44 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -41.68 -30.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 57.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 19' ' ' THR . 46.6 mt -144.07 -59.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.06 -56.55 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -40.06 -53.3 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -9.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.56 -18.89 53.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.9 mm -75.17 -56.76 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.39 -31.02 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -64.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -64.0 -37.1 86.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -49.88 -63.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.99 -67.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt -42.12 -59.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 t -46.01 -60.95 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -40.74 -60.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mt -45.4 -58.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -52.47 -25.32 9.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . 41.6 m-85 -114.13 24.88 11.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ILE . 3.1 p-90 -69.86 -38.99 76.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 t -67.99 67.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -160.39 -44.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -65.73 -55.95 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.29 -52.11 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 tt -113.71 -43.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 -59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -40.44 -51.91 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -48.76 -54.14 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -61.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 72.46 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -43.95 166.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.278 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m 62.03 66.19 1.49 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.54 9.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 61.1 142.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 p -66.07 -11.99 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -79.53 -20.77 46.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.5 mt -58.7 -44.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -53.96 -47.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.506 ' O ' HD12 ' A' ' 10' ' ' ILE . 12.6 t60 -45.36 -57.57 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.611 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.28 53.04 2.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 t -145.98 -63.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.12 60.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 6' ' ' HIS . 6.1 mt -52.09 -51.23 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.17 44.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 tp -107.61 -59.06 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -46.93 -61.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -20.88 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -114.43 19.2 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.8 p-90 -69.2 -39.87 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -67.07 70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -164.53 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 22' ' ' ILE . 17.0 m -47.22 -30.67 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -45.5 -26.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.224 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.16 68.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 19' ' ' THR . 40.7 mt -151.3 -70.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -30.92 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.24 -52.1 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -49.1 -50.04 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tt -42.9 -56.19 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.45 94.25 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -98.91 160.23 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.3 m 62.7 69.66 0.86 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.426 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.55 38.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 51.72 101.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -95.73 20.7 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 -19.69 12.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.8 mm -85.3 -57.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.77 -61.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.74 -51.01 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 mt -86.27 51.86 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.13 -65.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.508 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -45.61 -49.03 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -42.73 -55.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.15 37.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 9' ' ' ALA . 5.4 tp -126.9 36.35 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 9' ' ' ALA . 2.7 mp -138.9 -50.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -69.81 -25.26 63.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -95.02 32.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 11.0 t-105 -110.76 170.36 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 108.055 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER 60.49 34.86 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.991 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt -144.2 -47.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -63.6 -57.58 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -40.57 -52.5 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 66.39 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tt -119.31 -43.57 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -54.37 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -50.62 -52.69 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -50.8 68.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 tp -44.43 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.82 90.61 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 156.48 7.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -157.78 87.36 2.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 153.92 41.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -178.08 136.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -10.31 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -78.06 -14.51 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mm -81.8 -60.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.4 t -40.59 -53.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.8 t-80 -41.58 -59.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.0 mt -43.43 -56.8 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -43.52 -59.5 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.62 ' C ' HD12 ' A' ' 13' ' ' ILE . . . -43.49 -60.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mt -44.51 -59.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 t -44.39 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' TRP . 8.5 tp -42.24 -64.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 9' ' ' ALA . 8.0 mt -44.63 -64.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -46.67 -30.93 2.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' LEU . 45.6 m-85 -113.63 35.56 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ILE . 4.6 p-90 -79.28 -37.92 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 63.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -155.43 -46.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.41 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 16.3 m -48.11 -36.97 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.92 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.48 56.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.6 mt -147.08 -62.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 -54.79 4.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -47.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -51.64 -53.21 41.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.522 ' O ' HD12 ' A' ' 26' ' ' LEU . 1.5 pp -91.66 53.88 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.2 64.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -93.66 110.87 22.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.36 154.45 79.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.38 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.99 32.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -179.97 96.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -100.15 -11.96 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.562 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.4 p -82.42 -17.76 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.7 mm -65.88 -60.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -46.44 -60.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.427 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -41.95 -61.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.576 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 3' ' ' SER . 1.8 mm? -40.47 -60.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 t -44.12 -60.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -41.37 -64.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mt -41.03 -60.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -43.95 -60.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TRP . 1.5 tp -40.63 -53.38 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 16' ' ' TRP . 4.7 mt -57.85 -61.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -50.42 -22.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' SER . 5.7 m-85 -95.75 -20.94 18.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -44.37 -44.23 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.461 ' N ' ' CD1' ' A' ' 16' ' ' TRP . 71.0 m -62.79 79.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -176.75 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -58.57 -52.52 65.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -45.14 -46.11 11.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB1' ' HB2' ' A' ' 25' ' ' ASN . . . -115.8 68.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 6.3 tt -93.77 -48.15 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -100.8 -56.84 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -42.44 -50.41 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.593 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 0.7 OUTLIER -49.61 -55.19 14.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -84.06 60.46 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -174.43 67.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.74 133.74 52.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.722 HG22 ' HG2' ' A' ' 31' ' ' ARG . 16.9 m 52.13 81.04 0.27 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.722 ' HG2' HG22 ' A' ' 29' ' ' THR . 0.2 OUTLIER -138.24 121.34 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m -94.56 9.04 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.873 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -99.28 -18.45 17.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' A' ' 4' ' ' ILE . 21.9 mm -70.2 -50.23 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.3 -53.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -46.15 -61.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -85.64 54.86 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -154.99 -63.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -35.9 68.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.91 -38.53 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.67 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.23 -52.57 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.656 ' H ' HD12 ' A' ' 13' ' ' ILE . 5.0 mp -54.51 -74.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.83 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.2 m-85 -90.78 43.68 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' SER . 25.0 t-105 -126.99 170.02 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.94 37.13 28.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -145.36 -47.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -41.48 -43.38 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -44.2 -40.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.22 67.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.704 HG22 ' OE1' ' A' ' 23' ' ' GLU . 11.9 mm -131.15 -59.76 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.704 ' OE1' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -92.53 -55.84 3.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.89 -51.98 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -49.64 -56.01 11.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 mt -105.17 59.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -173.64 64.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -114.57 126.74 55.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.64 154.45 73.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.36 6.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -161.92 130.82 4.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 110.35 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.397 -0.224 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -9.36 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -9.17 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.2 -53.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -44.5 -56.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.583 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 55.2 t60 -42.69 -60.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -40.9 -61.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -53.56 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -43.83 -63.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -41.78 -69.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' TYR . 15.1 m -41.11 -61.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.588 HD23 HG13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -40.58 -59.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.588 HG13 HD23 ' A' ' 12' ' ' LEU . 15.2 mt -55.78 -46.83 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -12.76 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' SER . 9.0 m-85 -118.1 5.88 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -59.58 -40.86 88.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.022 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.63 70.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.473 HD13 ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -177.07 -39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.0 p -43.62 -54.0 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.27 -29.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' O ' HD13 ' A' ' 18' ' ' ILE . . . -129.44 86.37 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 6.3 mt -128.02 -58.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.03 -41.29 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -60.52 -50.39 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -55.18 -53.42 56.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tt -40.71 -60.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 71.27 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.35 134.35 6.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.44 154.45 80.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.65 6.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.8 110.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 tpt85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -67.06 -9.79 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -13.03 59.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.3 mm -90.19 -51.9 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -44.02 -53.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.41 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 t-80 -44.07 -61.79 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' A' ' 10' ' ' ILE . 6.6 mt -52.88 -54.7 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.47 -57.07 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -41.7 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 7' ' ' LEU . 5.8 mt -44.85 -45.59 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -99.26 35.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' CYS . 1.1 tt -106.12 -46.17 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' TYR . 3.8 mp -63.99 -79.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.76 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.2 m-85 -90.34 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 17' ' ' SER . 22.7 t-105 -126.03 170.08 12.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.043 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.537 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.78 37.06 28.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.471 ' HA ' HD13 ' A' ' 18' ' ' ILE . 7.2 mm -148.8 -47.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.474 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.2 m -68.65 -47.1 67.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -25.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -101.66 -93.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 23' ' ' GLU . 22.0 mt 66.76 -72.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 22' ' ' ILE . 2.0 mt-10 -83.7 -61.2 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -56.21 -61.86 2.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 44.55 62.15 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt 56.64 79.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 65.24 135.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.68 154.46 42.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.49 8.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.752 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -153.47 118.58 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -70.01 -9.14 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.67 -9.03 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.432 ' HA ' HD12 ' A' ' 7' ' ' LEU . 27.3 mt -104.22 -49.74 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.14 -50.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.475 ' NE2' HD11 ' A' ' 10' ' ' ILE . 37.0 t60 -46.39 -50.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 4' ' ' ILE . 20.0 mt -53.88 -53.7 48.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 -58.44 7.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.44 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.475 HD11 ' NE2' ' A' ' 6' ' ' HIS . 16.3 mt -47.97 -41.68 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 t -93.64 44.6 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -141.25 -55.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -56.83 -69.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -46.07 -28.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.14 34.29 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.5 p-90 -82.9 -38.79 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' HD12 ' A' ' 18' ' ' ILE . 22.8 t -69.42 60.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.42 -44.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.48 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m -71.63 -55.29 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -51.38 -21.8 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.43 60.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 25.4 mt -123.13 -54.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.97 -59.72 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.78 -49.5 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -56.31 -63.16 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 tp -45.31 -63.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -93.22 69.08 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.18 123.72 4.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.22 154.38 73.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 70.54 5.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.4 ttp-105 40.64 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -11.14 48.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.91 -17.41 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.83 -54.25 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.0 t -42.18 -56.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -42.46 -62.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.8 mt -50.75 -56.79 10.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.68 -55.35 4.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 108.34 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.18 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -45.85 -58.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' LEU . 4.8 t -47.91 -57.81 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -40.59 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 mt -46.44 -66.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -112.62 41.13 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -85.38 -37.35 19.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.65 60.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.461 HG23 HD12 ' A' ' 22' ' ' ILE . 1.9 tp -142.36 -47.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.0 t -47.75 -43.98 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -56.89 -27.41 60.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -111.46 48.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.461 HD12 HG23 ' A' ' 18' ' ' ILE . 29.8 mt -143.79 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -57.9 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -38.02 -56.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -60.16 -58.63 7.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.68 -43.82 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -121.86 -131.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' THR . 53.8 ttp180 -178.97 149.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ARG . 25.2 m 38.86 81.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 112.4 3.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -134.52 120.32 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.519 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.1 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -110.87 -10.13 14.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.83 -18.76 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 1' ' ' THR . 8.5 mt -69.8 -62.4 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -41.81 -60.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.82 -60.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.2 mt -44.26 -54.47 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -44.82 -63.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.88 -63.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mt -47.41 -59.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -47.78 -57.33 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -46.85 -43.92 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -56.57 -43.05 79.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -84.4 8.81 15.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 10.2 t-105 -103.55 170.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 27.0 t 60.95 37.56 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.943 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.43 ' HA ' HD13 ' A' ' 18' ' ' ILE . 7.2 mm -148.01 -47.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -47.61 -49.82 25.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -26.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.18 -48.1 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.6 mt -49.1 -63.1 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -46.55 -57.45 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -39.51 -49.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -51.97 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mt -92.95 65.21 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.54 88.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -179.36 114.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.95 155.51 44.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -156.58 95.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -9.97 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -83.51 -19.67 35.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.54 ' HA ' HD21 ' A' ' 7' ' ' LEU . 28.4 mm -71.75 -27.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -82.45 -3.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -41.09 10.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.579 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 4' ' ' ILE . 1.3 pp -75.21 -40.94 58.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 9' ' ' ALA . 21.7 p -43.25 -44.64 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . . . -69.32 -51.92 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.9 mt -50.5 -42.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.42 75.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.48 -59.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -50.0 -63.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -44.4 -34.64 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -112.47 40.41 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -83.08 -37.51 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -69.39 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 18' ' ' ILE . 2.8 tp -153.05 -46.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.406 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 53.9 m -45.31 -38.96 6.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.08 -25.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 49.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mt -145.34 -69.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 26' ' ' LEU . 3.7 tt0 -55.36 -59.19 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.22 -56.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -39.93 94.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -56.19 -59.97 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -92.14 70.5 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 95.83 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -118.02 83.21 18.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 73.05 4.42 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.97 138.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -76.3 -9.08 58.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.41 -18.98 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.52 -40.54 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.94 -14.37 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -91.9 -11.36 36.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.7 mt -107.17 -35.09 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -44.39 -45.21 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.3 -60.84 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 10' ' ' ILE . 30.0 mm -41.18 -42.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.86 76.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -136.2 -53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.08 -70.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -27.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -114.42 32.35 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.4 p-90 -80.66 -38.67 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 108.032 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.633 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -69.48 60.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.37 -44.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.2 m -62.69 -13.56 33.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -77.35 -25.36 51.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 43.58 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 19' ' ' THR . 26.4 mt -131.42 -66.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -52.83 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.99 -34.85 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.22 34.86 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 tp -96.88 68.38 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.51 71.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.66 164.26 2.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.27 88.64 28.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.07 4.64 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 4.1 tmt_? 179.94 146.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -71.94 -12.05 61.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -94.25 44.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mm -147.82 -59.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -50.69 -48.15 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -47.23 -54.87 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 50.8 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -152.16 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.74 -39.93 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.06 -49.5 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -94.42 32.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -56.69 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' TYR . 2.7 mp -58.39 -71.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' ILE . 10.1 mmt85 -38.78 -29.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.0 m-85 -90.76 44.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.539 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.3 t-105 -128.93 170.07 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.967 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.99 36.32 26.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mt -149.79 -46.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -46.53 -37.55 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -55.38 -39.76 70.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 66.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 3.4 tt -134.96 -50.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 11.3 mm-40 -83.69 -52.2 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -49.82 -30.95 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.11 28.81 6.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 27' ' ' LYS . 17.1 tp -82.88 62.56 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 39.07 62.61 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 mtp-105 -140.74 170.51 15.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.26 154.44 50.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.64 4.31 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.59 107.4 13.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -73.3 -11.28 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -17.22 57.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mt -69.86 -61.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -40.73 -59.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -40.37 -62.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.74 -53.56 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -43.86 -60.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' CYS . . . -40.45 -60.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.26 -54.33 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.39 44.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 12' ' ' LEU . 8.0 tt -102.54 -60.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.38 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 13' ' ' ILE . 4.9 mp -58.69 -44.8 90.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -19.23 16.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -108.65 18.56 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.4 t-105 -102.96 170.31 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.557 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 60.64 38.0 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.937 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.99 -47.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 20' ' ' GLN . 11.5 t -39.63 -49.68 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.439 ' N ' HG23 ' A' ' 19' ' ' THR . 2.1 mp0 -43.75 -53.42 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.83 70.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tt -118.51 -40.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.57 -29.66 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -62.9 -51.98 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -55.84 -37.37 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.47 -40.92 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -124.01 -131.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? 61.12 113.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.3 154.31 77.05 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 70.18 5.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.05 102.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -68.17 -11.03 58.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.947 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -18.61 62.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mp -81.6 -55.7 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.94 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -40.49 -59.31 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.666 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.5 mt -49.3 -57.05 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.34 -61.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.47 -61.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -40.9 -55.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -53.42 -56.8 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -50.03 -52.11 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -47.39 -49.53 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -91.71 25.13 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 17' ' ' SER . 6.8 t-105 -109.2 170.29 8.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.053 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 63.18 23.56 13.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 tt -123.71 -43.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.483 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 4.9 t -47.58 -40.99 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -44.55 -26.35 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -99.92 -94.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 23' ' ' GLU . 19.6 mt 66.69 -72.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -83.07 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' LYS . 99.1 m-85 -40.41 -38.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -47.08 -42.38 18.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -37.9 75.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -120.86 -131.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 62.28 86.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.48 154.38 81.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 111.83 3.42 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.66 140.07 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -104.12 44.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.42 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.25 -30.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -61.61 -45.3 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.408 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.1 t-80 -52.65 -58.77 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.561 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.2 pp -82.69 52.76 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -151.04 -63.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -52.56 -54.16 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 6' ' ' HIS . 4.8 mt -44.97 -46.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 41.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -144.18 -68.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 9' ' ' ALA . 3.5 mp -52.79 -72.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -38.71 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' ILE . 20.9 m-85 -90.64 44.56 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.1 t-105 -128.58 170.06 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.96 36.4 26.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -150.55 -46.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -60.85 -52.92 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -44.77 -46.57 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 64.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 tt -118.16 -43.62 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -101.44 -53.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.408 ' C ' ' CD1' ' A' ' 24' ' ' TYR . 6.2 t80 -41.0 -50.21 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -50.39 -54.01 24.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 tt -43.67 -62.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -113.46 82.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.93 152.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 29' ' ' THR . 4.4 m -152.16 75.5 7.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 126.94 10.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -135.06 55.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' ' 4' ' ' ILE . 27.3 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -82.66 -10.47 58.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 33.0 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 1' ' ' THR . 35.0 mt -134.63 -64.3 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.49 -25.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -68.99 -37.96 79.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -56.9 -60.22 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.03 -62.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -46.32 -49.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 44.69 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tt -124.66 -58.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 mt -48.35 -66.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.42 -34.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.3 43.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ILE . 5.6 p-90 -88.27 -37.47 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -69.55 60.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 19' ' ' THR . 1.2 tp -144.82 -47.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.423 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.2 t -41.38 -42.36 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -43.05 -28.67 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.94 -48.64 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.9 mt -41.35 -63.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -39.02 -61.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -47.36 -41.05 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -102.82 30.11 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.478 ' C ' HD23 ' A' ' 26' ' ' LEU . 5.5 tt -107.14 -59.46 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.52 94.73 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -177.95 80.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.245 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' ARG . 21.1 p -36.78 97.66 0.14 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.99 101.1 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 111.034 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.53 110.44 9.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -66.59 -10.51 46.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -71.45 -18.37 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.691 ' O ' HD23 ' A' ' 7' ' ' LEU . 9.3 mm -79.97 -59.33 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -49.76 -35.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.466 ' CE1' HD11 ' A' ' 10' ' ' ILE . 39.5 t60 -47.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.691 HD23 ' O ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -54.43 -33.16 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -57.5 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.05 -54.14 3.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.466 HD11 ' CE1' ' A' ' 6' ' ' HIS . 35.7 mt -45.55 -42.85 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -100.62 40.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' TRP . 2.5 tp -141.3 -64.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' TRP . 1.7 mp -49.99 -66.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -27.49 1.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -114.33 32.23 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.8 p-90 -78.96 -38.51 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -68.39 65.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -157.39 -45.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -54.99 -49.13 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 4.3 tp-100 -41.15 -30.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.02 -49.18 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.6 mt -44.66 -63.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -37.09 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.27 -54.42 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.08 -47.17 34.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.38 61.05 6.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -175.09 115.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.09 115.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.743 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -147.75 146.6 24.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -75.08 134.48 17.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.758 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -177.63 109.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -9.42 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -17.03 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 7' ' ' LEU . 46.2 mt -76.65 -59.85 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' ILE . 62.7 t -40.53 -56.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.518 ' NE2' HD11 ' A' ' 10' ' ' ILE . 59.8 t60 -41.41 -58.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.565 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 10' ' ' ILE . 20.2 mt -45.87 -50.04 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -45.6 -63.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.19 -60.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 7' ' ' LEU . 17.2 mt -41.72 -53.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.01 76.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 tp -169.94 -64.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -47.68 -66.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -33.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -112.89 39.25 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.3 p-90 -82.25 -37.58 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 107.965 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -69.36 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -145.68 -47.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.686 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.8 t -47.58 -35.44 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -41.68 -30.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 57.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 19' ' ' THR . 46.6 mt -144.07 -59.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -88.06 -56.55 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.549 ' CD2' ' HD3' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -40.06 -53.3 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.91 -41.09 77.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -47.96 -48.68 32.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -122.46 -131.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.549 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 5.7 ttp-105 59.42 154.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.31 155.62 73.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.03 27.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -161.12 97.61 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -9.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.56 -18.89 53.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.9 mm -75.17 -56.76 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.39 -31.02 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -64.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -64.0 -37.1 86.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.416 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -49.88 -63.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.99 -67.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt -42.12 -59.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 t -46.01 -60.95 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -40.74 -60.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mt -45.4 -58.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -52.47 -25.32 9.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . 41.6 m-85 -114.13 24.88 11.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ILE . 3.1 p-90 -69.86 -38.99 76.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 t -67.99 67.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -160.39 -44.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -65.73 -55.95 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.29 -52.11 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 tt -113.71 -43.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 -59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -40.44 -51.91 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 -179.984 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 p -66.07 -11.99 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -79.53 -20.77 46.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.5 mt -58.7 -44.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -53.96 -47.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.506 ' O ' HD12 ' A' ' 10' ' ' ILE . 12.6 t60 -45.36 -57.57 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.611 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.28 53.04 2.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 t -145.98 -63.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.12 60.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 6' ' ' HIS . 6.1 mt -52.09 -51.23 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.17 44.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 tp -107.61 -59.06 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -46.93 -61.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -20.88 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -114.43 19.2 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.8 p-90 -69.2 -39.87 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -67.07 70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -164.53 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 22' ' ' ILE . 17.0 m -47.22 -30.67 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -45.5 -26.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.224 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.16 68.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 19' ' ' THR . 40.7 mt -151.3 -70.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -30.92 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.24 -52.1 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -95.73 20.7 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 -19.69 12.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.8 mm -85.3 -57.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.77 -61.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.74 -51.01 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 mt -86.27 51.86 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.13 -65.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.508 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -45.61 -49.03 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -42.73 -55.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.15 37.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 9' ' ' ALA . 5.4 tp -126.9 36.35 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 9' ' ' ALA . 2.7 mp -138.9 -50.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -69.81 -25.26 63.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -95.02 32.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 11.0 t-105 -110.76 170.36 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 108.055 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER 60.49 34.86 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.991 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt -144.2 -47.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -63.6 -57.58 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -40.57 -52.5 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 66.39 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tt -119.31 -43.57 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -54.37 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -50.62 -52.69 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -10.31 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -78.06 -14.51 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mm -81.8 -60.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.4 t -40.59 -53.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.8 t-80 -41.58 -59.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.0 mt -43.43 -56.8 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -43.52 -59.5 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.62 ' C ' HD12 ' A' ' 13' ' ' ILE . . . -43.49 -60.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mt -44.51 -59.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 t -44.39 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' TRP . 8.5 tp -42.24 -64.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 9' ' ' ALA . 8.0 mt -44.63 -64.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -46.67 -30.93 2.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' LEU . 45.6 m-85 -113.63 35.56 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ILE . 4.6 p-90 -79.28 -37.92 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 63.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -155.43 -46.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.41 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 16.3 m -48.11 -36.97 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.92 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.48 56.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.6 mt -147.08 -62.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 -54.79 4.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -47.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -100.15 -11.96 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.562 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.4 p -82.42 -17.76 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.7 mm -65.88 -60.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -46.44 -60.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.427 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -41.95 -61.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.576 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 3' ' ' SER . 1.8 mm? -40.47 -60.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 t -44.12 -60.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -41.37 -64.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mt -41.03 -60.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -43.95 -60.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TRP . 1.5 tp -40.63 -53.38 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 16' ' ' TRP . 4.7 mt -57.85 -61.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -50.42 -22.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' SER . 5.7 m-85 -95.75 -20.94 18.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -44.37 -44.23 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.461 ' N ' ' CD1' ' A' ' 16' ' ' TRP . 71.0 m -62.79 79.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -176.75 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -58.57 -52.52 65.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -45.14 -46.11 11.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB1' ' HB2' ' A' ' 25' ' ' ASN . . . -115.8 68.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 6.3 tt -93.77 -48.15 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.427 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -100.8 -56.84 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -42.44 -50.41 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.593 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 7.0 t-20 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m -94.56 9.04 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.873 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -99.28 -18.45 17.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' A' ' 4' ' ' ILE . 21.9 mm -70.2 -50.23 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.3 -53.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -46.15 -61.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -85.64 54.86 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -154.99 -63.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -35.9 68.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.91 -38.53 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.67 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.23 -52.57 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.656 HD12 ' H ' ' A' ' 13' ' ' ILE . 5.0 mp -54.51 -74.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.83 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.2 m-85 -90.78 43.68 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' SER . 25.0 t-105 -126.99 170.02 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.94 37.13 28.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -145.36 -47.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -41.48 -43.38 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -44.2 -40.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.22 67.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.704 HG22 ' OE1' ' A' ' 23' ' ' GLU . 11.9 mm -131.15 -59.76 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.704 ' OE1' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -92.53 -55.84 3.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.89 -51.98 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.397 -0.224 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -9.36 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -9.17 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.2 -53.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -44.5 -56.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.583 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 55.2 t60 -42.69 -60.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -40.9 -61.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -53.56 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -43.83 -63.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -41.78 -69.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' TYR . 15.1 m -41.11 -61.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.588 HD23 HG13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -40.58 -59.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.588 HG13 HD23 ' A' ' 12' ' ' LEU . 15.2 mt -55.78 -46.83 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -12.76 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' SER . 9.0 m-85 -118.1 5.88 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -59.58 -40.86 88.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.022 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.63 70.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.473 HD13 ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -177.07 -39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.0 p -43.62 -54.0 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.27 -29.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.473 ' O ' HD13 ' A' ' 18' ' ' ILE . . . -129.44 86.37 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 6.3 mt -128.02 -58.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.03 -41.29 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -60.52 -50.39 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -67.06 -9.79 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -13.03 59.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.3 mm -90.19 -51.9 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -44.02 -53.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.41 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 t-80 -44.07 -61.79 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' A' ' 10' ' ' ILE . 6.6 mt -52.88 -54.7 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.47 -57.07 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -41.7 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 7' ' ' LEU . 5.8 mt -44.85 -45.59 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -99.26 35.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' CYS . 1.1 tt -106.12 -46.17 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' TYR . 3.8 mp -63.99 -79.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.76 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.2 m-85 -90.34 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 17' ' ' SER . 22.7 t-105 -126.03 170.08 12.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.043 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.537 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.78 37.06 28.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 18' ' ' ILE . 7.2 mm -148.8 -47.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.474 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.2 m -68.65 -47.1 67.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -25.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -101.66 -93.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 23' ' ' GLU . 22.0 mt 66.76 -72.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 22' ' ' ILE . 2.0 mt-10 -83.7 -61.2 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 180.0 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -70.01 -9.14 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.67 -9.03 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.432 ' HA ' HD12 ' A' ' 7' ' ' LEU . 27.3 mt -104.22 -49.74 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.14 -50.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.475 ' NE2' HD11 ' A' ' 10' ' ' ILE . 37.0 t60 -46.39 -50.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 4' ' ' ILE . 20.0 mt -53.88 -53.7 48.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 -58.44 7.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.44 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.475 HD11 ' NE2' ' A' ' 6' ' ' HIS . 16.3 mt -47.97 -41.68 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 t -93.64 44.6 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -141.25 -55.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -56.83 -69.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -46.07 -28.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.14 34.29 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.5 p-90 -82.9 -38.79 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' HD12 ' A' ' 18' ' ' ILE . 22.8 t -69.42 60.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.42 -44.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.48 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m -71.63 -55.29 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -51.38 -21.8 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.43 60.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 25.4 mt -123.13 -54.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.97 -59.72 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.78 -49.5 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -11.14 48.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.91 -17.41 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.83 -54.25 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.0 t -42.18 -56.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -42.46 -62.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.8 mt -50.75 -56.79 10.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.68 -55.35 4.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 108.34 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.18 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -45.85 -58.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' LEU . 4.8 t -47.91 -57.81 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -40.59 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 mt -46.44 -66.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -112.62 41.13 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -85.38 -37.35 19.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.65 60.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.461 HG23 HD12 ' A' ' 22' ' ' ILE . 1.9 tp -142.36 -47.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.0 t -47.75 -43.98 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -56.89 -27.41 60.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -111.46 48.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.461 HD12 HG23 ' A' ' 18' ' ' ILE . 29.8 mt -143.79 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -57.9 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -38.02 -56.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.519 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.1 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -110.87 -10.13 14.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.83 -18.76 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 1' ' ' THR . 8.5 mt -69.8 -62.4 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -41.81 -60.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.82 -60.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.2 mt -44.26 -54.47 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -44.82 -63.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.88 -63.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mt -47.41 -59.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -47.78 -57.33 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -46.85 -43.92 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -56.57 -43.05 79.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -84.4 8.81 15.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 10.2 t-105 -103.55 170.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 27.0 t 60.95 37.56 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.943 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 18' ' ' ILE . 7.2 mm -148.01 -47.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -47.61 -49.82 25.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -26.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.18 -48.1 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.6 mt -49.1 -63.1 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -46.55 -57.45 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -39.51 -49.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -9.97 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -83.51 -19.67 35.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.54 ' HA ' HD21 ' A' ' 7' ' ' LEU . 28.4 mm -71.75 -27.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -82.45 -3.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -41.09 10.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.579 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 4' ' ' ILE . 1.3 pp -75.21 -40.94 58.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 9' ' ' ALA . 21.7 p -43.25 -44.64 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . . . -69.32 -51.92 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.9 mt -50.5 -42.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.42 75.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.48 -59.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -50.0 -63.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -44.4 -34.64 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -112.47 40.41 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -83.08 -37.51 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -69.39 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 18' ' ' ILE . 2.8 tp -153.05 -46.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.406 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 53.9 m -45.31 -38.96 6.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.08 -25.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 49.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mt -145.34 -69.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -55.36 -59.19 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.22 -56.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -76.3 -9.08 58.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.41 -18.98 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.52 -40.54 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.94 -14.37 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -91.9 -11.36 36.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.7 mt -107.17 -35.09 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -44.39 -45.21 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.3 -60.84 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 10' ' ' ILE . 30.0 mm -41.18 -42.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.86 76.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -136.2 -53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.08 -70.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -27.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -114.42 32.35 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.4 p-90 -80.66 -38.67 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 108.032 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.633 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -69.48 60.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.37 -44.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.2 m -62.69 -13.56 33.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -77.35 -25.36 51.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 43.58 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 19' ' ' THR . 26.4 mt -131.42 -66.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -52.83 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.99 -34.85 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -71.94 -12.05 61.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -94.25 44.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mm -147.82 -59.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -50.69 -48.15 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -47.23 -54.87 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 50.8 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -152.16 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.74 -39.93 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.06 -49.5 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -94.42 32.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -56.69 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' TYR . 2.7 mp -58.39 -71.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' ILE . 10.1 mmt85 -38.78 -29.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.0 m-85 -90.76 44.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.539 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.3 t-105 -128.93 170.07 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.967 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.99 36.32 26.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mt -149.79 -46.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -46.53 -37.55 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -55.38 -39.76 70.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 66.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 3.4 tt -134.96 -50.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 11.3 mm-40 -83.69 -52.2 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -49.82 -30.95 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -73.3 -11.28 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -17.22 57.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mt -69.86 -61.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -40.73 -59.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -40.37 -62.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.74 -53.56 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -43.86 -60.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' CYS . . . -40.45 -60.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.26 -54.33 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.39 44.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 12' ' ' LEU . 8.0 tt -102.54 -60.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.38 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.645 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.9 mp -58.69 -44.8 90.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -19.23 16.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -108.65 18.56 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.4 t-105 -102.96 170.31 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.557 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 60.64 38.0 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.937 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.99 -47.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 20' ' ' GLN . 11.5 t -39.63 -49.68 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.439 ' N ' HG23 ' A' ' 19' ' ' THR . 2.1 mp0 -43.75 -53.42 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.83 70.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tt -118.51 -40.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.57 -29.66 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -62.9 -51.98 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -68.17 -11.03 58.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.947 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -18.61 62.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mp -81.6 -55.7 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.94 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -40.49 -59.31 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.666 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.5 mt -49.3 -57.05 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.34 -61.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.47 -61.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -40.9 -55.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -53.42 -56.8 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -50.03 -52.11 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -47.39 -49.53 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -91.71 25.13 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 17' ' ' SER . 6.8 t-105 -109.2 170.29 8.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.053 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 63.18 23.56 13.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 tt -123.71 -43.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.483 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 4.9 t -47.58 -40.99 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -44.55 -26.35 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -99.92 -94.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 23' ' ' GLU . 19.6 mt 66.69 -72.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -83.07 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 99.1 m-85 -40.41 -38.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -104.12 44.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.42 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.25 -30.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -61.61 -45.3 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.408 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.1 t-80 -52.65 -58.77 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.561 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.2 pp -82.69 52.76 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -151.04 -63.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -52.56 -54.16 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 6' ' ' HIS . 4.8 mt -44.97 -46.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 41.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -144.18 -68.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 9' ' ' ALA . 3.5 mp -52.79 -72.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -38.71 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' ILE . 20.9 m-85 -90.64 44.56 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.1 t-105 -128.58 170.06 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.96 36.4 26.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -150.55 -46.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -60.85 -52.92 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -44.77 -46.57 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 64.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 tt -118.16 -43.62 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -101.44 -53.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 6.2 t80 -41.0 -50.21 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' ' 4' ' ' ILE . 27.3 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -82.66 -10.47 58.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 33.0 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 1' ' ' THR . 35.0 mt -134.63 -64.3 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.49 -25.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -68.99 -37.96 79.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -56.9 -60.22 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.03 -62.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -46.32 -49.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 44.69 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tt -124.66 -58.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 mt -48.35 -66.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.42 -34.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.3 43.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ILE . 5.6 p-90 -88.27 -37.47 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -69.55 60.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 19' ' ' THR . 1.2 tp -144.82 -47.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.423 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.2 t -41.38 -42.36 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -43.05 -28.67 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.94 -48.64 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.9 mt -41.35 -63.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -39.02 -61.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -47.36 -41.05 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -66.59 -10.51 46.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -71.45 -18.37 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.691 ' O ' HD23 ' A' ' 7' ' ' LEU . 9.3 mm -79.97 -59.33 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -49.76 -35.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.466 ' CE1' HD11 ' A' ' 10' ' ' ILE . 39.5 t60 -47.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.691 HD23 ' O ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -54.43 -33.16 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -57.5 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.05 -54.14 3.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.466 HD11 ' CE1' ' A' ' 6' ' ' HIS . 35.7 mt -45.55 -42.85 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -100.62 40.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' TRP . 2.5 tp -141.3 -64.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' TRP . 1.7 mp -49.99 -66.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -27.49 1.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -114.33 32.23 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.8 p-90 -78.96 -38.51 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -68.39 65.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -157.39 -45.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -54.99 -49.13 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.402 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 4.3 tp-100 -41.15 -30.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.02 -49.18 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.6 mt -44.66 -63.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -37.09 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.27 -54.42 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -9.42 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -17.03 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 7' ' ' LEU . 46.2 mt -76.65 -59.85 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' ILE . 62.7 t -40.53 -56.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.518 ' NE2' HD11 ' A' ' 10' ' ' ILE . 59.8 t60 -41.41 -58.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.565 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 10' ' ' ILE . 20.2 mt -45.87 -50.04 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -45.6 -63.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.19 -60.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 7' ' ' LEU . 17.2 mt -41.72 -53.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.01 76.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 tp -169.94 -64.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -47.68 -66.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -33.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -112.89 39.25 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.3 p-90 -82.25 -37.58 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 107.965 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -69.36 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -145.68 -47.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.686 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.8 t -47.58 -35.44 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -41.68 -30.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 57.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 19' ' ' THR . 46.6 mt -144.07 -59.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -88.06 -56.55 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -40.06 -53.3 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.989 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.404 -0.221 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -67.38 -9.91 46.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.0 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.56 -18.89 53.98 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.041 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 27.9 mm -75.17 -56.76 7.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.565 1.165 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.9 t -49.39 -31.02 5.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 109.317 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.2 -64.15 0.93 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.137 . . . . 0.0 109.646 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.416 ' HG ' ' N ' ' A' ' 8' ' ' CYS . 0.6 OUTLIER -64.0 -37.1 86.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 0.0 109.322 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.416 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.1 OUTLIER -49.88 -63.31 1.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 108.314 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.99 -67.53 0.24 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.279 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 10.4 mt -42.12 -59.58 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 35.7 t -46.01 -60.95 1.96 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -40.74 -60.64 1.11 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 42.4 mt -45.4 -58.59 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.238 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 38.6 ttt180 -52.47 -25.32 9.85 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.422 ' N ' ' O ' ' A' ' 12' ' ' LEU . 41.6 m-85 -114.13 24.88 11.59 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 18' ' ' ILE . 3.1 p-90 -69.86 -38.99 76.61 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.2 t -67.99 67.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.99 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -160.39 -44.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.272 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 9.6 m -65.73 -55.95 14.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -42.29 -52.11 4.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.82 69.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.4 tt -113.71 -43.13 4.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.289 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -104.13 -59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 110.333 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 5.2 m-85 -40.44 -51.91 2.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 110.97 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 -48.76 -54.14 16.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.56 -61.57 0.91 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 72.46 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.3 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -43.95 166.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.123 . . . . 0.0 110.278 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 22.7 m 62.03 66.19 1.49 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.393 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 176.54 9.78 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.486 1.782 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 52.2 ttt-85 61.1 142.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.269 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.6 ptp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.302 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.1 m . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.442 -0.207 . . . . 0.0 110.442 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.8 p -66.07 -11.99 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -79.53 -20.77 46.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.988 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.5 mt -58.7 -44.87 90.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.267 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 6' ' ' HIS . 0.6 OUTLIER -53.96 -47.05 65.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.506 ' O ' HD12 ' A' ' 10' ' ' ILE . 12.6 t60 -45.36 -57.57 3.94 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.611 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -82.28 53.04 2.16 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 17.6 t -145.98 -63.59 0.32 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -55.16 -53.12 60.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.512 1.132 . . . . 0.0 109.264 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.506 HD12 ' O ' ' A' ' 6' ' ' HIS . 6.1 mt -52.09 -51.23 31.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -91.17 44.97 1.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.098 . . . . 0.0 110.003 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 tp -107.61 -59.06 1.88 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.5 mp -46.93 -61.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 109.345 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -52.1 -20.88 2.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.297 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 -114.43 19.2 16.37 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' N ' ' O ' ' A' ' 12' ' ' LEU . 1.8 p-90 -69.2 -39.87 78.38 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -67.07 70.23 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.04 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -164.53 -43.82 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.57 ' HA ' HD12 ' A' ' 22' ' ' ILE . 17.0 m -47.22 -30.67 3.13 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -45.5 -26.34 0.56 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.224 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -124.16 68.21 1.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.57 HD12 ' HA ' ' A' ' 19' ' ' THR . 40.7 mt -151.3 -70.95 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -79.78 -30.92 40.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.299 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -67.24 -52.1 44.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 111.028 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.8 t-20 -49.1 -50.04 38.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.343 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.5 tt -42.9 -56.19 3.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.297 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -137.45 94.25 2.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.3 ttp-105 -98.91 160.23 14.4 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 18.3 m 62.7 69.66 0.86 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.125 . . . . 0.0 110.426 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 161.55 38.62 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.52 1.8 . . . . 0.0 111.032 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 51.72 101.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.268 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.273 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.0 t -95.73 20.7 9.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.154 . . . . 0.0 110.04 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -111.24 -19.69 12.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.009 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 18.8 mm -85.3 -57.53 4.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.0 t -43.77 -61.55 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t-80 -42.74 -51.01 5.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 16.8 mt -86.27 51.86 2.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -152.13 -65.73 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.287 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.508 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -45.61 -49.03 14.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.137 . . . . 0.0 109.26 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.9 mt -42.73 -55.31 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.268 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -91.15 37.1 0.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.957 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 9' ' ' ALA . 5.4 tp -126.9 36.35 4.46 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.528 1.143 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 9' ' ' ALA . 2.7 mp -138.9 -50.83 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp85 -69.81 -25.26 63.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.29 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 30.6 m-85 -95.02 32.3 1.71 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.048 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 11.0 t-105 -110.76 170.36 8.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.14 . . . . 0.0 108.055 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER 60.49 34.86 20.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.557 1.161 . . . . 0.0 109.991 179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 13.9 mt -144.2 -47.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.7 m -63.6 -57.58 9.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -40.57 -52.5 2.84 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 110.309 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 66.39 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.5 tt -119.31 -43.57 2.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.298 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.03 -54.37 3.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.33 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -50.62 -52.69 37.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 110.988 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -55.15 -50.8 68.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.3 tp -44.43 -70.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -131.82 90.61 2.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.2 156.48 7.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 2.9 m -157.78 87.36 2.53 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.415 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 153.92 41.93 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.48 1.779 . . . . 0.0 111.014 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 3.4 ttt-85 -178.08 136.12 0.17 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.306 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.351 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.367 -0.234 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.25 -10.31 59.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.148 . . . . 0.0 109.993 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 t -78.06 -14.51 59.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.016 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 13.4 mm -81.8 -60.92 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.4 t -40.59 -53.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.414 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.8 t-80 -41.58 -59.04 1.74 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.123 . . . . 0.0 109.591 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.0 mt -43.43 -56.8 3.4 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.555 1.159 . . . . 0.0 109.343 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 37.4 t -43.52 -59.5 2.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 108.304 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.62 ' C ' HD12 ' A' ' 13' ' ' ILE . . . -43.49 -60.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 28.9 mt -44.51 -59.96 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.521 1.138 . . . . 0.0 109.308 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 17.9 t -44.39 -69.48 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.406 ' O ' ' N ' ' A' ' 16' ' ' TRP . 8.5 tp -42.24 -64.47 0.59 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.538 1.148 . . . . 0.0 109.295 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.62 HD12 ' C ' ' A' ' 9' ' ' ALA . 8.0 mt -44.63 -64.77 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.3 ttp180 -46.67 -30.93 2.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 110.263 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 12' ' ' LEU . 45.6 m-85 -113.63 35.56 4.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.12 . . . . 0.0 110.983 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.411 ' O ' ' N ' ' A' ' 18' ' ' ILE . 4.6 p-90 -79.28 -37.92 36.64 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.3 t -69.0 63.77 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.994 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -155.43 -46.01 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.41 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 16.3 m -48.11 -36.97 14.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.378 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.92 -30.83 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.48 56.31 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.477 1.11 . . . . 0.0 109.269 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.6 mt -147.08 -62.11 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.274 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -84.79 -54.79 4.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.299 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -38.44 -47.03 1.21 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -51.64 -53.21 41.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.339 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 26' ' ' LEU . 1.5 pp -91.66 53.88 2.35 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -177.2 64.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -93.66 110.87 22.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -134.36 154.45 79.88 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 110.38 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 145.99 32.25 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.507 1.793 . . . . 0.0 111.036 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -179.97 96.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 p -100.15 -11.96 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 110.0 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.562 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.4 p -82.42 -17.76 44.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 1.089 . . . . 0.0 109.963 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 32.7 mm -65.88 -60.28 2.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 45.6 t -46.44 -60.04 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.427 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 0.3 OUTLIER -41.95 -61.97 1.02 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 109.576 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.562 HD23 ' O ' ' A' ' 3' ' ' SER . 1.8 mm? -40.47 -60.85 1.02 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.312 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.6 t -44.12 -60.66 1.78 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 108.33 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.427 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -41.37 -64.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.253 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 45.9 mt -41.03 -60.85 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.253 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -43.95 -60.36 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.005 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' TRP . 1.5 tp -40.63 -53.38 2.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 109.29 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.424 ' O ' ' N ' ' A' ' 16' ' ' TRP . 4.7 mt -57.85 -61.61 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -50.42 -22.16 1.76 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' A' ' 11' ' ' SER . 5.7 m-85 -95.75 -20.94 18.47 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.977 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.461 ' CD1' ' N ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -44.37 -44.23 8.12 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.027 -1.101 . . . . 0.0 108.027 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.461 ' N ' ' CD1' ' A' ' 16' ' ' TRP . 71.0 m -62.79 79.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 0.0 110.023 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -176.75 -39.43 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.8 m -58.57 -52.52 65.32 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -45.14 -46.11 11.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 110.325 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB1' ' HB2' ' A' ' 25' ' ' ASN . . . -115.8 68.25 0.72 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 6.3 tt -93.77 -48.15 13.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.427 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -100.8 -56.84 2.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.1 . . . . 0.0 110.29 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -42.44 -50.41 5.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 1.129 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.593 ' HB2' ' HB1' ' A' ' 21' ' ' ALA . 7.0 t-20 -49.61 -55.19 14.51 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.2 mt -84.06 60.46 5.89 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.558 1.161 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.5 tttt -174.43 67.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.74 133.74 52.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.722 HG22 ' HG2' ' A' ' 31' ' ' ARG . 16.9 m 52.13 81.04 0.27 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 99.67 1.28 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.492 1.785 . . . . 0.0 110.976 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.722 ' HG2' HG22 ' A' ' 29' ' ' THR . 0.2 OUTLIER -138.24 121.34 16.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ttm-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 -179.997 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 17.3 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.7 m -94.56 9.04 40.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.873 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -99.28 -18.45 17.58 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.42 ' HA ' HD13 ' A' ' 4' ' ' ILE . 21.9 mm -70.2 -50.23 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 56.0 t -45.3 -53.45 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.6 t60 -46.15 -61.11 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.623 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.873 HD23 ' O ' ' A' ' 3' ' ' SER . 0.5 OUTLIER -85.64 54.86 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.125 . . . . 0.0 109.257 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.7 t -154.99 -63.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 108.274 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.57 -35.9 68.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.91 -38.53 37.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.348 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.67 44.55 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.4 tp -93.23 -52.57 4.49 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.656 HD12 ' H ' ' A' ' 13' ' ' ILE . 5.0 mp -54.51 -74.22 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -38.83 -29.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.325 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 13' ' ' ILE . 3.2 m-85 -90.78 43.68 1.16 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.527 ' CG ' ' N ' ' A' ' 17' ' ' SER . 25.0 t-105 -126.99 170.02 12.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 107.988 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.527 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.94 37.13 28.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.043 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.5 mt -145.36 -47.34 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 109.25 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.1 t -41.48 -43.38 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.444 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 17.5 mt-30 -44.2 -40.2 4.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 110.272 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.22 67.18 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.704 HG22 ' OE1' ' A' ' 23' ' ' GLU . 11.9 mm -131.15 -59.76 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.275 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.704 ' OE1' HG22 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -92.53 -55.84 3.25 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.294 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -39.89 -51.98 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -49.64 -56.01 11.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.28 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 21.8 mt -105.17 59.27 0.68 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -173.64 64.94 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.439 1.087 . . . . 0.0 109.28 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.8 ptp85 -114.57 126.74 55.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.258 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -138.64 154.45 73.21 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 110.369 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 179.36 6.17 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.523 1.802 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.6 ttt180 -161.92 130.82 4.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.493 1.121 . . . . 0.0 110.29 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 1.6 ptm180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.427 1.079 . . . . 0.0 110.35 179.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 79.3 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.397 -0.224 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -73.34 -9.36 58.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 109.988 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -82.23 -9.17 59.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 11.0 mt -103.2 -53.5 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.8 t -44.5 -56.74 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.583 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 55.2 t60 -42.69 -60.43 1.56 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.608 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.415 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -40.9 -61.45 0.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.556 1.16 . . . . 0.0 109.294 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -46.56 -53.56 11.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 108.328 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.583 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -43.83 -63.08 0.92 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -41.78 -69.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 15' ' ' TYR . 15.1 m -41.11 -61.14 1.05 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.013 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.588 HD23 HG13 ' A' ' 13' ' ' ILE . 0.6 OUTLIER -40.58 -59.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.159 . . . . 0.0 109.327 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.588 HG13 HD23 ' A' ' 12' ' ' LEU . 15.2 mt -55.78 -46.83 79.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.118 . . . . 0.0 109.296 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.55 -12.76 35.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.319 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.404 ' N ' ' O ' ' A' ' 11' ' ' SER . 9.0 m-85 -118.1 5.88 12.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.978 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.455 ' O ' ' N ' ' A' ' 18' ' ' ILE . 0.5 OUTLIER -59.58 -40.86 88.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 108.022 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -66.63 70.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.018 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.473 HD13 ' O ' ' A' ' 21' ' ' ALA . 0.3 OUTLIER -177.07 -39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.457 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.0 p -43.62 -54.0 5.3 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.364 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 -46.27 -29.19 1.52 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.473 ' O ' HD13 ' A' ' 18' ' ' ILE . . . -129.44 86.37 2.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 6.3 mt -128.02 -58.76 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.323 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -84.03 -41.29 17.37 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 110.246 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -60.52 -50.39 73.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 111.064 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -55.18 -53.42 56.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 tt -40.71 -60.71 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.07 71.27 8.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.35 134.35 6.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.277 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -133.44 154.45 80.9 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.391 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 121.65 6.73 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.455 1.766 . . . . 0.0 111.001 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 172.8 110.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 34.1 tpt85 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.306 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 85.6 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.2 m -67.06 -9.79 43.04 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.997 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.28 -13.03 59.53 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.995 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 33.3 mm -90.19 -51.9 11.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.319 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 55.5 t -44.02 -53.65 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.41 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 5.9 t-80 -44.07 -61.79 1.35 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.597 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' HA ' HD12 ' A' ' 10' ' ' ILE . 6.6 mt -52.88 -54.7 30.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 109.255 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' O ' ' N ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -45.47 -57.07 4.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 108.31 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 6' ' ' HIS . . . -41.7 -63.79 0.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 7' ' ' LEU . 5.8 mt -44.85 -45.59 2.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.3 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.6 m -99.26 35.66 1.89 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.988 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 8' ' ' CYS . 1.1 tt -106.12 -46.17 4.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 15' ' ' TYR . 3.8 mp -63.99 -79.32 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 13' ' ' ILE . 0.0 OUTLIER -38.76 -29.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.445 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.2 m-85 -90.34 43.13 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.951 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.537 ' CG ' ' N ' ' A' ' 17' ' ' SER . 22.7 t-105 -126.03 170.08 12.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 108.043 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.537 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 55.78 37.06 28.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.038 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 18' ' ' ILE . 7.2 mm -148.8 -47.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.474 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 2.2 m -68.65 -47.1 67.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 110.366 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.5 -25.4 0.67 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.525 1.141 . . . . 0.0 110.308 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -101.66 -93.23 0.3 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.486 HG22 ' N ' ' A' ' 23' ' ' GLU . 22.0 mt 66.76 -72.17 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.486 ' N ' HG22 ' A' ' 22' ' ' ILE . 2.0 mt-10 -83.7 -61.2 1.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -56.21 -61.86 2.1 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 44.55 62.15 2.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 ttmt 56.64 79.12 0.19 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 3.7 ttp180 65.24 135.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.286 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.68 154.46 42.44 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 0.0 110.367 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 177.49 8.52 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.43 1.752 . . . . 0.0 110.959 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -153.47 118.58 5.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 110.334 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.325 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 63.1 m . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 110.374 -0.232 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -70.01 -9.14 54.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 110.005 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -80.67 -9.03 59.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.432 ' HA ' HD12 ' A' ' 7' ' ' LEU . 27.3 mt -104.22 -49.74 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.283 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 54.8 t -50.14 -50.03 20.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.326 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.475 ' NE2' HD11 ' A' ' 10' ' ' ILE . 37.0 t60 -46.39 -50.71 16.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.432 HD12 ' HA ' ' A' ' 4' ' ' ILE . 20.0 mt -53.88 -53.7 48.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.69 -58.44 7.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 108.311 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -40.82 -63.44 0.66 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.475 HD11 ' NE2' ' A' ' 6' ' ' HIS . 16.3 mt -47.97 -41.68 9.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.498 1.124 . . . . 0.0 109.354 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 45.4 t -93.64 44.6 1.13 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.524 1.14 . . . . 0.0 109.999 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -141.25 -55.05 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.3 mt -56.83 -69.77 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -46.07 -28.52 1.22 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.455 1.097 . . . . 0.0 110.28 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -114.14 34.29 4.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.112 . . . . 0.0 111.044 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.447 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.5 p-90 -82.9 -38.79 22.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 108.011 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.616 ' O ' HD12 ' A' ' 18' ' ' ILE . 22.8 t -69.42 60.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.005 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.616 HD12 ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.42 -44.6 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.48 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 1.3 m -71.63 -55.29 8.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.8 tp60 -51.38 -21.8 2.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.43 60.27 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.146 . . . . 0.0 109.275 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 19' ' ' THR . 25.4 mt -123.13 -54.56 2.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -91.97 -59.72 2.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.52 1.137 . . . . 0.0 110.24 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -37.78 -49.5 1.18 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.548 1.155 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -56.31 -63.16 1.28 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.254 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 7.9 tp -45.31 -63.28 0.98 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.8 tttt -93.22 69.08 4.33 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.597 1.186 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.18 123.72 4.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.22 154.38 73.87 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.355 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 70.54 5.24 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.54 1.81 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.4 ttp-105 40.64 84.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.125 . . . . 0.0 110.317 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -66.23 -11.14 48.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.484 1.115 . . . . 0.0 110.019 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -71.91 -17.41 62.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 28.4 mm -82.83 -54.25 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.303 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 62.0 t -42.18 -56.39 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.328 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -42.46 -62.35 0.99 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.107 . . . . 0.0 109.558 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 82.8 mt -50.75 -56.79 10.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.427 1.079 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.7 t -43.68 -55.35 4.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 108.34 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.18 -67.03 0.31 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 109.325 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 9.7 mt -45.85 -58.49 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' LEU . 4.8 t -47.91 -57.81 5.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.415 HD22 ' HA ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -40.59 -68.11 0.2 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' O ' ' N ' ' A' ' 16' ' ' TRP . 6.6 mt -46.44 -66.99 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.252 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.69 -34.23 0.86 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 110.309 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 47.1 m-85 -112.62 41.13 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 111.027 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.41 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -85.38 -37.35 19.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 108.016 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -69.65 60.54 0.15 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.127 . . . . 0.0 109.995 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.461 HG23 HD12 ' A' ' 22' ' ' ILE . 1.9 tp -142.36 -47.38 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.0 t -47.75 -43.98 27.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.41 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -56.89 -27.41 60.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 18' ' ' ILE . . . -111.46 48.59 0.94 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.461 HD12 HG23 ' A' ' 18' ' ' ILE . 29.8 mt -143.79 -67.0 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.15 -57.9 10.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.6 t80 -38.02 -56.3 1.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -60.16 -58.63 7.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.68 -43.82 2.03 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -121.86 -131.57 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 109.354 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 29' ' ' THR . 53.8 ttp180 -178.97 149.17 0.42 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 28' ' ' ARG . 25.2 m 38.86 81.46 0.25 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 112.4 3.55 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.517 1.799 . . . . 0.0 110.992 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 24.7 ptt180 -134.52 120.32 19.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.564 1.165 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.519 ' N ' HD12 ' A' ' 4' ' ' ILE . 1.1 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.373 -0.232 . . . . 0.0 110.373 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.1 t -110.87 -10.13 14.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.83 -18.76 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 110.052 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.519 HD12 ' N ' ' A' ' 1' ' ' THR . 8.5 mt -69.8 -62.4 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.11 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 53.3 t -41.81 -60.85 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -41.82 -60.07 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 109.608 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 33.2 mt -44.26 -54.47 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 109.289 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.7 t -44.82 -63.4 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 108.313 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.88 -63.23 0.76 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 109.288 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 29.2 mt -47.41 -59.32 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 m -47.78 -57.33 5.73 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 110.03 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.67 -58.73 1.87 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 6.0 mt -46.85 -43.92 6.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.2 tpm_? -56.57 -43.05 79.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 110.298 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 35.6 m-85 -84.4 8.81 15.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.548 ' CG ' ' N ' ' A' ' 17' ' ' SER . 10.2 t-105 -103.55 170.3 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 107.991 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.548 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 27.0 t 60.95 37.56 18.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.943 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.43 HD13 ' HA ' ' A' ' 18' ' ' ILE . 7.2 mm -148.01 -47.2 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.4 m -47.61 -49.82 25.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 110.406 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.8 -26.1 0.36 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.18 -48.1 7.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 70.6 mt -49.1 -63.1 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -46.55 -57.45 4.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.358 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -39.51 -49.24 2.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.979 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -55.06 -51.97 64.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.0 mt -92.95 65.21 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.288 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -164.54 88.57 0.49 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.155 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -179.36 114.6 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.321 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -147.95 155.51 44.06 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 105.06 2.01 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -156.58 95.79 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.4 mpp_? . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.521 1.138 . . . . 0.0 110.339 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.417 -0.216 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.5 p -68.78 -9.97 53.95 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.986 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.0 t -83.51 -19.67 35.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.984 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.54 ' HA ' HD21 ' A' ' 7' ' ' LEU . 28.4 mm -71.75 -27.29 27.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -82.45 -3.17 6.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -92.67 -41.09 10.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.09 . . . . 0.0 109.579 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.54 HD21 ' HA ' ' A' ' 4' ' ' ILE . 1.3 pp -75.21 -40.94 58.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.441 ' SG ' ' N ' ' A' ' 9' ' ' ALA . 21.7 p -43.25 -44.64 5.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.441 ' N ' ' SG ' ' A' ' 8' ' ' CYS . . . -69.32 -51.92 32.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 87.9 mt -50.5 -42.77 22.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.311 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -108.42 75.79 1.0 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.977 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 tp -134.48 -59.36 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.118 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.9 mp -50.0 -63.97 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 11.6 mmt180 -44.4 -34.64 2.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 110.314 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 57.0 m-85 -112.47 40.41 2.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.414 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.5 p-90 -83.08 -37.51 23.74 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.015 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 t -69.39 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.943 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.432 HD12 ' HA ' ' A' ' 18' ' ' ILE . 2.8 tp -153.05 -46.42 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.406 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 53.9 m -45.31 -38.96 6.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 110.381 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -47.08 -25.86 0.94 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.312 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.13 49.02 1.3 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 51.3 mt -145.34 -69.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 109.316 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.406 ' O ' ' N ' ' A' ' 26' ' ' LEU . 3.7 tt0 -55.36 -59.19 5.15 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.521 1.138 . . . . 0.0 110.289 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.22 -56.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -64.66 -39.93 94.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.2 OUTLIER -56.19 -59.97 4.17 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.255 -179.948 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmt -92.14 70.5 5.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.149 . . . . 0.0 109.301 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.27 95.83 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.536 1.148 . . . . 0.0 110.291 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 26.4 m -118.02 83.21 18.79 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 110.387 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 73.05 4.42 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.533 1.807 . . . . 0.0 111.019 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 66.97 138.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.445 1.091 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 2.5 ttp180 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.306 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.454 -0.252 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -76.3 -9.08 58.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.468 1.105 . . . . 0.0 109.99 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -81.41 -18.98 43.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.998 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 35.9 mt -66.52 -40.54 86.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.9 t -71.94 -14.37 17.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.305 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -91.9 -11.36 36.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.096 . . . . 0.0 109.61 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 88.7 mt -107.17 -35.09 6.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.353 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 30.1 p -44.39 -45.21 8.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 108.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -73.3 -60.84 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.416 HD13 ' HA ' ' A' ' 10' ' ' ILE . 30.0 mm -41.18 -42.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.31 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -109.86 76.52 1.0 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.997 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 16' ' ' TRP . 0.9 OUTLIER -136.2 -53.71 0.74 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.36 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 3.2 mp -61.08 -70.55 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.322 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.76 -27.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 0.0 110.364 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 32.3 m-85 -114.42 32.35 6.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.44 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.4 p-90 -80.66 -38.67 28.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.135 . . . . 0.0 108.032 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.633 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.0 OUTLIER -69.48 60.43 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.002 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 17' ' ' SER . 1.1 mp -160.37 -44.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.433 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.2 m -62.69 -13.56 33.71 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.41 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 -77.35 -25.36 51.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 110.267 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.47 43.58 2.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.433 HD12 ' HA ' ' A' ' 19' ' ' THR . 26.4 mt -131.42 -66.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -55.68 -52.83 62.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -48.99 -34.85 13.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -107.22 34.86 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 tp -96.88 68.38 2.34 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 67.51 71.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.66 164.26 2.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.338 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.27 88.64 28.47 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.533 1.146 . . . . 0.0 110.387 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -179.07 4.64 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.418 ' HD3' ' N ' ' A' ' 32' ' ' ARG . 4.1 tmt_? 179.94 146.84 0.24 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.418 ' N ' ' HD3' ' A' ' 31' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.33 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 8.8 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 m -71.94 -12.05 61.07 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 109.987 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -94.25 44.24 1.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mm -147.82 -59.64 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 76.7 t -50.69 -48.15 27.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -47.23 -54.87 9.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.637 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -86.52 50.8 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.415 ' O ' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -152.16 -68.46 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.44 1.088 . . . . 0.0 108.325 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.74 -39.93 2.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.0 mt -56.06 -49.5 75.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.1 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.4 OUTLIER -94.42 32.56 1.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.045 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -110.55 -56.69 2.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.272 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.444 ' O ' ' N ' ' A' ' 15' ' ' TYR . 2.7 mp -58.39 -71.66 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.4 ' C ' ' O ' ' A' ' 13' ' ' ILE . 10.1 mmt85 -38.78 -29.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.129 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.444 ' N ' ' O ' ' A' ' 13' ' ' ILE . 15.0 m-85 -90.76 44.76 1.21 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 111.026 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.539 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.3 t-105 -128.93 170.07 13.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.524 1.14 . . . . 0.0 107.967 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.539 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.99 36.32 26.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 110.02 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 9.1 mt -149.79 -46.95 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 109.252 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.6 t -46.53 -37.55 8.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.345 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -55.38 -39.76 70.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.345 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.27 66.77 0.63 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.475 ' CG2' ' N ' ' A' ' 23' ' ' GLU . 3.4 tt -134.96 -50.62 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.311 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.475 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 11.3 mm-40 -83.69 -52.2 6.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -49.82 -30.95 10.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -105.11 28.81 6.9 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.306 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 27' ' ' LYS . 17.1 tp -82.88 62.56 6.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 26' ' ' LEU . 0.0 OUTLIER 39.07 62.61 1.07 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.257 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 mtp-105 -140.74 170.51 15.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -117.26 154.44 50.18 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.372 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -178.64 4.31 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.5 1.79 . . . . 0.0 111.008 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.59 107.4 13.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.33 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.344 -0.243 . . . . 0.0 110.344 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 m -73.3 -11.28 60.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 109.986 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -77.65 -17.22 57.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 110.009 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 25.3 mt -69.86 -61.83 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.536 1.148 . . . . 0.0 109.295 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 98.5 t -40.73 -59.12 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.266 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -40.37 -62.33 0.78 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.477 1.111 . . . . 0.0 109.571 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 35.5 mt -46.74 -53.56 11.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.349 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -43.86 -60.95 1.6 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.482 1.114 . . . . 0.0 108.265 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 8' ' ' CYS . . . -40.45 -60.54 1.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.26 -54.33 11.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 109.252 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.39 44.25 1.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.031 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.408 HD23 ' C ' ' A' ' 12' ' ' LEU . 8.0 tt -102.54 -60.19 1.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.095 . . . . 0.0 109.38 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.645 HD12 ' H ' ' A' ' 13' ' ' ILE . 4.9 mp -58.69 -44.8 90.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.96 -19.23 16.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.53 1.144 . . . . 0.0 110.275 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 9.5 m-85 -108.65 18.56 20.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.557 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.4 t-105 -102.96 170.31 8.05 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 107.977 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.557 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 60.64 38.0 18.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.937 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 19.7 mt -143.99 -47.42 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.444 1.09 . . . . 0.0 109.284 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.439 HG23 ' N ' ' A' ' 20' ' ' GLN . 11.5 t -39.63 -49.68 2.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 110.435 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.439 ' N ' HG23 ' A' ' 19' ' ' THR . 2.1 mp0 -43.75 -53.42 5.9 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.83 70.23 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.121 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.0 tt -118.51 -40.88 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.57 -29.66 14.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 110.316 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.9 m-85 -62.9 -51.98 64.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -55.84 -37.37 68.64 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.348 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -43.47 -40.92 4.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.576 1.173 . . . . 0.0 109.286 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -124.01 -131.64 0.26 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.245 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? 61.12 113.64 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -136.3 154.31 77.05 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.434 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 70.18 5.34 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.471 1.774 . . . . 0.0 110.977 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 56.05 102.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.3 p -68.17 -11.03 58.5 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 109.947 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.95 -18.61 62.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.4 mp -81.6 -55.7 7.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.328 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.5 t -40.94 -59.74 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 10.3 t60 -40.49 -59.31 1.36 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.479 1.112 . . . . 0.0 109.666 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 47.5 mt -49.3 -57.05 7.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 0.0 109.306 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.34 -61.2 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.453 1.096 . . . . 0.0 108.271 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -43.47 -61.17 1.45 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 109.33 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mm -40.9 -55.85 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.491 1.119 . . . . 0.0 109.356 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.5 m -53.42 -56.8 13.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.993 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.3 tt -50.03 -52.11 36.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.483 1.115 . . . . 0.0 109.262 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 5.0 mm -47.39 -49.53 8.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.7 mmt85 -66.87 -37.79 85.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.252 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -91.71 25.13 2.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.922 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.555 ' CG ' ' N ' ' A' ' 17' ' ' SER . 6.8 t-105 -109.2 170.29 8.15 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 108.053 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.555 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 1.3 t 63.18 23.56 13.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.3 tt -123.71 -43.8 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.098 . . . . 0.0 109.355 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.483 ' HA ' ' CD1' ' A' ' 22' ' ' ILE . 4.9 t -47.58 -40.99 20.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -44.55 -26.35 0.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.284 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 23' ' ' GLU . . . -99.92 -94.18 0.26 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.275 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.491 HG22 ' N ' ' A' ' 23' ' ' GLU . 19.6 mt 66.69 -72.07 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.491 ' N ' HG22 ' A' ' 22' ' ' ILE . 0.9 OUTLIER -83.07 -66.27 0.91 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.268 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.427 ' O ' ' N ' ' A' ' 27' ' ' LYS . 99.1 m-85 -40.41 -38.72 0.86 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 -47.08 -42.38 18.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.27 -37.9 75.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.448 1.093 . . . . 0.0 109.281 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.427 ' N ' ' O ' ' A' ' 24' ' ' TYR . 0.5 OUTLIER -120.86 -131.53 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 109.334 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 49.8 ttp180 62.28 86.11 0.12 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.544 1.152 . . . . 0.0 110.284 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -130.48 154.38 81.6 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.427 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 111.83 3.42 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.524 1.802 . . . . 0.0 110.972 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -165.66 140.07 4.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.258 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.4 mmm-85 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.299 179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 16.3 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -104.12 44.96 0.98 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 109.984 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.42 -35.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.567 1.167 . . . . 0.0 110.049 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 2.7 mp -80.25 -30.24 12.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.5 t -61.61 -45.3 98.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.408 ' O ' HD12 ' A' ' 10' ' ' ILE . 3.1 t-80 -52.65 -58.77 5.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.563 1.164 . . . . 0.0 109.561 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 7' ' ' LEU . 1.2 pp -82.69 52.76 2.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 109.36 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.9 t -151.04 -63.99 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.548 1.155 . . . . 0.0 108.267 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.498 ' O ' HD12 ' A' ' 13' ' ' ILE . . . -52.56 -54.16 36.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.408 HD12 ' O ' ' A' ' 6' ' ' HIS . 4.8 mt -44.97 -46.96 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -90.36 41.36 1.05 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.977 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -144.18 -68.62 0.32 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.498 HD12 ' O ' ' A' ' 9' ' ' ALA . 3.5 mp -52.79 -72.76 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ttt85 -38.71 -30.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.271 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' ILE . 20.9 m-85 -90.64 44.56 1.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 1.109 . . . . 0.0 110.971 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' CG ' ' N ' ' A' ' 17' ' ' SER . 23.1 t-105 -128.58 170.06 13.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 108.01 -1.108 . . . . 0.0 108.01 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.535 ' N ' ' CG ' ' A' ' 16' ' ' TRP . 0.4 OUTLIER 54.96 36.4 26.75 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.434 1.084 . . . . 0.0 110.0 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.4 mt -150.55 -46.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 109.299 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.4 m -60.85 -52.92 63.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.393 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -44.77 -46.57 10.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.282 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.19 64.1 0.67 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.0 tt -118.16 -43.62 2.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.556 1.16 . . . . 0.0 109.297 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -101.44 -53.94 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.408 ' CD1' ' C ' ' A' ' 24' ' ' TYR . 6.2 t80 -41.0 -50.21 3.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 111.027 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -50.39 -54.01 24.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 109.241 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 5.2 tt -43.67 -62.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.307 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -113.46 82.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.93 152.44 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.169 . . . . 0.0 110.361 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 29' ' ' THR . 4.4 m -152.16 75.5 7.34 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.422 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 126.94 10.28 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.532 1.806 . . . . 0.0 110.999 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -135.06 55.2 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 47.7 ttm-85 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.303 179.988 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . 0.474 ' HA ' HD12 ' A' ' 4' ' ' ILE . 27.3 m . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.8 m -82.66 -10.47 58.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.58 33.0 2.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 110.036 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.474 HD12 ' HA ' ' A' ' 1' ' ' THR . 35.0 mt -134.63 -64.3 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.15 . . . . 0.0 109.309 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.1 t -48.49 -25.09 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.554 1.159 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -66.18 -61.08 2.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.553 1.158 . . . . 0.0 109.6 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 4' ' ' ILE . 0.6 OUTLIER -68.99 -37.96 79.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.2 m -56.9 -60.22 3.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 108.299 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.03 -62.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.268 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 50.3 mt -46.32 -49.29 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.51 44.69 1.22 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.5 tt -124.66 -58.89 1.48 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 mt -48.35 -66.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.127 . . . . 0.0 109.337 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -41.42 -34.95 0.6 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 59.2 m-85 -112.3 43.08 1.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.134 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.438 ' N ' ' O ' ' A' ' 13' ' ' ILE . 5.6 p-90 -88.27 -37.47 16.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 107.989 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.3 t -69.55 60.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.423 ' CG2' ' N ' ' A' ' 19' ' ' THR . 1.2 tp -144.82 -47.3 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.423 ' N ' ' CG2' ' A' ' 18' ' ' ILE . 5.2 t -41.38 -42.36 2.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.413 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -43.05 -28.67 0.29 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.294 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.94 -48.64 6.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.534 1.146 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 93.9 mt -41.35 -63.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -39.02 -61.45 0.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.3 m-85 -47.36 -41.05 18.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -102.82 30.11 4.95 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 0.0 109.314 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.478 HD23 ' C ' ' A' ' 26' ' ' LEU . 5.5 tt -107.14 -59.46 1.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -137.52 94.73 2.96 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.15 . . . . 0.0 109.33 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 29' ' ' THR . 0.0 OUTLIER -177.95 80.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 0.0 110.245 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.428 ' C ' ' O ' ' A' ' 28' ' ' ARG . 21.1 p -36.78 97.66 0.14 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.392 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.422 ' N ' ' O ' ' A' ' 28' ' ' ARG . 18.4 Cg_endo -74.99 101.1 1.43 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 111.034 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.53 110.44 9.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.299 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 0.0 110.307 -179.975 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 7.9 m . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.6 t -66.59 -10.51 46.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.092 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 t -71.45 -18.37 62.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.691 ' O ' HD23 ' A' ' 7' ' ' LEU . 9.3 mm -79.97 -59.33 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 59.5 t -49.76 -35.67 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.466 ' CE1' HD11 ' A' ' 10' ' ' ILE . 39.5 t60 -47.43 -65.7 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.597 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.691 HD23 ' O ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -54.43 -33.16 58.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.339 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' O ' ' N ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -57.5 -65.81 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.519 1.137 . . . . 0.0 108.301 -179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -42.05 -54.14 3.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.466 HD11 ' CE1' ' A' ' 6' ' ' HIS . 35.7 mt -45.55 -42.85 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.112 . . . . 0.0 109.249 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 8' ' ' CYS . 0.2 OUTLIER -100.62 40.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.992 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 16' ' ' TRP . 2.5 tp -141.3 -64.81 0.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.497 1.123 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.411 ' O ' ' N ' ' A' ' 16' ' ' TRP . 1.7 mp -49.99 -66.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.97 -27.49 1.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 0.0 110.333 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -114.33 32.23 6.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.047 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.428 ' N ' ' O ' ' A' ' 12' ' ' LEU . 3.8 p-90 -78.96 -38.51 36.86 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 t -68.39 65.73 0.11 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.043 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -157.39 -45.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 109.265 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.9 m -54.99 -49.13 72.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 110.419 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.402 ' HA ' ' OE1' ' A' ' 20' ' ' GLN . 4.3 tp-100 -41.15 -30.32 0.15 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.48 1.113 . . . . 0.0 110.274 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.02 -49.18 6.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 78.6 mt -44.66 -63.56 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.28 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.64 -37.09 17.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.323 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -65.27 -54.42 29.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.989 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -48.08 -47.17 34.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.301 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -86.38 61.05 6.59 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.0 tttt -175.09 115.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -173.09 115.54 0.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 110.26 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.743 HG23 ' HD2' ' A' ' 30' ' ' PRO . 2.5 m -147.75 146.6 24.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.39 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.743 ' HD2' HG23 ' A' ' 29' ' ' THR . 18.3 Cg_endo -75.08 134.48 17.73 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.441 1.758 . . . . 0.0 110.958 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.424 ' NH1' ' HA ' ' A' ' 31' ' ' ARG . 0.0 OUTLIER -177.63 109.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.33 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.439 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' THR . . . . . . . . . . . . . 26.2 m . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.17 -9.42 58.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 110.033 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -78.83 -17.03 56.34 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 0.0 110.011 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.437 ' HA ' HD12 ' A' ' 7' ' ' LEU . 46.2 mt -76.65 -59.85 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' ILE . 62.7 t -40.53 -56.38 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.518 ' NE2' HD11 ' A' ' 10' ' ' ILE . 59.8 t60 -41.41 -58.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.116 . . . . 0.0 109.565 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.572 ' HA ' HD12 ' A' ' 10' ' ' ILE . 20.2 mt -45.87 -50.04 14.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 5.5 t -45.6 -63.0 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.321 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -41.19 -60.19 1.31 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.454 1.096 . . . . 0.0 109.335 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.572 HD12 ' HA ' ' A' ' 7' ' ' LEU . 17.2 mt -41.72 -53.73 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -109.01 76.34 1.0 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' A' ' 16' ' ' TRP . 11.6 tp -169.94 -64.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.54 1.15 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 49.5 mt -47.68 -66.44 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -33.72 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.2 m-85 -112.89 39.25 2.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.424 ' O ' ' N ' ' A' ' 18' ' ' ILE . 5.3 p-90 -82.25 -37.58 25.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 107.965 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 t -69.36 61.88 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.567 1.167 . . . . 0.0 110.002 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 19' ' ' THR . 0.1 OUTLIER -145.68 -47.22 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.686 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.8 t -47.58 -35.44 9.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -41.68 -30.79 0.25 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.472 1.107 . . . . 0.0 110.317 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.79 57.42 0.71 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 109.294 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.686 HD12 ' HA ' ' A' ' 19' ' ' THR . 46.6 mt -144.07 -59.95 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.5 OUTLIER -88.06 -56.55 3.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.517 1.136 . . . . 0.0 110.253 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.549 ' CD2' ' HD3' ' A' ' 28' ' ' ARG . 0.3 OUTLIER -40.06 -53.3 2.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 111.004 -179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -56.91 -41.09 77.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.279 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLU . 0.6 OUTLIER -47.96 -48.68 32.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.4 ttpm? -122.46 -131.64 0.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.27 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.549 ' HD3' ' CD2' ' A' ' 24' ' ' TYR . 5.7 ttp-105 59.42 154.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.31 155.62 73.96 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 110.372 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 167.03 27.95 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.513 1.796 . . . . 0.0 111.038 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 56.1 mtt180 -161.12 97.61 1.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 110.278 179.979 . . . . . . . . 1 1 . 1 stop_ save_