data_2yuy_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 2yuy _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -88.2 144.06 26.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -133.43 138.68 46.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG23 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -138.37 129.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 m -103.15 141.61 35.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 74' ' ' ALA . 5.1 mp -130.71 150.13 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 12.6 mttt -110.37 133.29 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.389 1.056 . . . . 0.0 110.323 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -66.59 -178.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 t -157.73 164.91 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -108.17 -179.75 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 61.16 134.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 66' ' ' LYS . 39.9 t -80.96 163.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 65' ' ' VAL . 1.1 tttp -113.04 -62.24 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -141.49 170.87 14.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.7 111.93 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -45.27 161.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.97 90.87 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 28.64 3.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.63 -161.34 19.08 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -62.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.424 ' N ' HD22 ' A' ' 14' ' ' LEU . . . -45.23 -53.58 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -44.4 -44.87 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.4 mm-40 -71.62 -53.84 12.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.59 -30.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.69 18.39 9.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 tp -71.26 176.16 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 0.807 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 -164.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 108.353 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.0 p -103.18 133.03 48.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.43 -23.62 31.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -56.99 126.91 29.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 0.734 . . . . 0.0 109.386 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -93.5 142.35 27.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mm -83.95 134.27 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.0 pt -119.2 -39.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -134.94 161.21 35.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.6 t -150.75 126.16 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 49.99 56.76 7.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.57 26.79 0.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 131.76 55.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.87 108.16 5.0 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.588 1.18 . . . . 0.0 109.968 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.424 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 35.1 m -110.16 46.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.62 -55.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.77 8.25 70.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.561 1.163 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -84.51 155.8 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.431 ' CG2' ' HG3' ' A' ' 100' ' ' GLN . 14.5 t -99.72 157.63 16.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -51.79 -29.65 19.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.6 t -72.88 -15.65 61.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 97' ' ' THR . 10.0 mt-30 -88.89 -59.92 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.424 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 21.3 m -51.08 -31.59 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mm -56.9 -54.52 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.71 -39.01 67.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.41 -44.24 92.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.0 mt -66.71 -31.65 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -81.73 -24.08 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.5 m-80 -97.94 19.51 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 111' ' ' THR . 0.7 OUTLIER -63.15 -12.99 31.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.934 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' THR . 4.9 t0 61.26 -95.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 19.4 m -92.78 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 108' ' ' SER . 0.7 OUTLIER -108.83 170.0 8.32 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.425 HD23 ' N ' ' A' ' 113' ' ' GLU . 0.5 OUTLIER -136.36 108.68 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.425 ' N ' HD23 ' A' ' 112' ' ' LEU . 24.8 tt0 -90.5 146.3 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 mt -138.3 -172.16 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -167.92 135.65 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.44 -163.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.364 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 2.2 mmt -143.07 103.35 5.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.84 139.12 24.34 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.48 1.779 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.183 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' THR . 1.8 ttpt -86.41 138.83 31.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.432 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.6 m -128.5 139.3 52.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -142.4 133.77 25.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -102.08 149.08 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' LEU . 5.2 mp -140.26 125.61 18.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HG3' ' CG2' ' A' ' 111' ' ' THR . 0.0 OUTLIER -98.26 117.72 33.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.226 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.604 1.19 . . . . 0.0 110.26 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -46.96 174.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 t -147.97 167.05 25.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.434 ' CD1' ' CG2' ' A' ' 63' ' ' ILE . 1.9 mm? -109.88 167.75 9.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 2.2 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.0 158.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 83' ' ' ASP . 58.9 t -92.28 149.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -60.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.81 162.64 31.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.5 t -131.93 118.32 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.64 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.91 94.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.38 12.14 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.68 -154.09 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -64.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.407 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . . . -42.17 -56.48 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -44.36 -48.11 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -71.66 -53.16 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.53 -30.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.17 7.88 15.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -68.63 176.56 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.811 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.6 p -173.45 -155.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 108.259 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.5 p -103.48 132.49 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.21 -50.37 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 94.5 m-20 -50.46 135.5 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -113.68 145.21 41.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mp -82.47 118.05 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.463 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 42.6 pt -105.01 -28.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.463 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 24.6 mttt -132.51 166.04 22.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.9 t -152.32 115.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 109.353 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 73.0 m-20 53.57 32.13 13.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.9 5.16 88.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.449 ' OE1' ' CD2' ' A' ' 104' ' ' LEU . 4.3 tt0 -95.34 117.05 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 0.813 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 p -64.14 129.3 39.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LYS . 2.4 m -81.78 -23.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' VAL . 2.9 mp -40.43 116.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.79 -45.17 2.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 21.9 mttp -57.96 145.79 34.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.4 t -89.97 155.13 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.422 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 18.1 t80 -42.1 -42.63 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -45.08 93.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -56.34 -63.85 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.421 HG22 ' N ' ' A' ' 102' ' ' ILE . 32.7 m -50.71 -42.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.422 ' CG1' ' O ' ' A' ' 98' ' ' TYR . 2.3 mm -51.08 -49.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.4 94.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.449 ' CD2' ' OE1' ' A' ' 91' ' ' GLU . 63.5 mt -56.77 -20.52 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.5 mt -92.2 -49.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.55 -41.9 99.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -87.4 10.41 17.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 19.3 t -70.58 -8.57 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.6 t0 81.47 -158.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 m -54.68 -61.37 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -89.48 154.02 20.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.368 1.043 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 14' ' ' LEU . 0.3 OUTLIER -146.45 124.26 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.143 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -104.83 136.92 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.9 mt -121.75 167.61 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.76 123.24 17.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.899 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.2 m -126.57 -175.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.461 ' CG ' HD11 ' A' ' 86' ' ' ILE . 1.1 mmt -131.39 107.94 14.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.638 1.211 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 172.97 15.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.58 1.831 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.0 tptt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.799 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' THR . 2.2 ttpt -103.08 140.0 37.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 94.0 m -125.52 139.98 53.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 HG23 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -141.81 141.92 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 m -113.1 158.26 20.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD23 ' CE1' ' A' ' 23' ' ' PHE . 5.3 mp -143.09 137.97 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.461 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 5.2 mttt -121.97 113.98 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.294 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.404 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.478 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 4.1 p90 -48.8 171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 t -158.3 156.09 30.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -109.94 161.58 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.466 HG23 ' CG1' ' A' ' 85' ' ' ILE . 1.2 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.92 141.94 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.54 153.33 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -110.46 -71.07 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.02 169.07 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -136.57 122.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -68.33 113.59 6.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.634 1.209 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.99 95.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.71 25.68 4.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.56 -157.41 18.8 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -60.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -49.93 -56.47 10.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -39.61 -44.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -67.33 -57.17 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.16 -31.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.88 6.08 28.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.7 tp -52.08 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.418 ' N ' ' OD2' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -161.36 -170.43 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.0 p -103.17 136.39 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.48 5.09 67.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 80' ' ' CYS . 18.4 m-20 -70.7 138.48 50.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -93.77 129.22 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.466 ' CG1' HG23 ' A' ' 63' ' ' ILE . 47.4 mm -82.75 131.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.405 HD11 ' CG ' ' A' ' 117' ' ' MET . 20.3 pt -115.88 -40.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -135.04 164.88 26.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.591 1.182 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -150.7 100.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.502 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 1.1 m-20 70.56 37.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 15.34 71.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.87 141.86 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 m -81.24 117.92 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.0 m -67.28 -31.81 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.4 mp -50.63 104.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.05 24.1 4.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 34.2 mttp -125.24 170.07 11.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 97' ' ' THR . 5.0 t -132.41 48.77 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.424 ' HB3' ' O ' ' A' ' 97' ' ' THR . 4.8 t80 66.3 -63.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -48.27 -26.03 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.916 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 96' ' ' LYS . 40.2 mt-30 -77.98 -67.3 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.403 HG11 ' CD ' ' A' ' 96' ' ' LYS . 16.2 m -50.8 -36.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.13 -48.71 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -61.5 -38.31 86.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.07 -29.83 65.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.51 -46.74 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.55 -26.66 67.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ALA . 46.5 m-80 -107.83 24.14 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -86.99 -5.42 59.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 81.86 -157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -60.4 -40.61 91.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.147 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.461 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -101.2 155.07 18.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.502 ' CD2' ' OD1' ' A' ' 89' ' ' ASN . 1.1 tm? -147.65 118.98 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.453 ' N ' HD21 ' A' ' 112' ' ' LEU . 2.0 tm-20 -101.23 143.53 31.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.392 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.428 HD12 ' CE2' ' A' ' 23' ' ' PHE . 13.7 mt -128.78 -169.09 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.39 133.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.2 m -135.34 -163.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -143.85 110.24 5.18 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.93 39.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -89.67 147.15 24.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -135.39 134.41 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.382 1.051 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -139.34 143.86 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.5 m -117.78 146.35 43.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD23 ' CE2' ' A' ' 23' ' ' PHE . 6.1 mp -128.42 160.86 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.213 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 7.0 mttm -123.65 129.04 50.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 23' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.656 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 12.2 p90 46.36 178.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 111.075 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.463 HG22 ' CG ' ' A' ' 66' ' ' LYS . 1.5 t -158.71 162.24 37.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 110.362 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -112.37 169.59 8.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' A' ' 101' ' ' VAL . 2.6 mp . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 46.5 m-85 -82.47 131.11 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.4 t -71.18 98.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.463 ' CG ' HG22 ' A' ' 24' ' ' THR . 3.8 tptt -44.35 -52.89 7.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.468 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 1.3 mt-30 -159.78 -177.73 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 75' ' ' PHE . 49.2 t -137.79 111.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -46.13 126.73 7.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.379 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 88.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.96 24.44 4.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.96 -169.12 29.61 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -48.92 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.436 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . 5.5 t80 -50.74 -42.84 57.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.7 mm-40 -67.56 -53.02 31.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.98 -27.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.39 6.8 31.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -55.56 161.5 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.405 ' C ' ' OD2' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -134.96 -172.12 2.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.146 . . . . 0.0 108.36 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 67' ' ' GLN . 33.1 p -103.43 136.12 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.472 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.33 15.37 64.46 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.42 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.405 ' OD2' ' C ' ' A' ' 80' ' ' CYS . 49.9 m-20 -82.46 136.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 14.5 mtp180 -93.85 131.39 39.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.8 mm -82.91 137.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 31.9 pt -119.02 -40.59 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 5.2 mttt -129.38 158.87 37.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 87' ' ' LYS . 87.2 t -157.07 128.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.9 m120 50.26 27.23 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.82 40.74 73.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.1 -4.09 18.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t 59.0 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.058 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.494 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 11.6 m -93.65 14.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mp -68.07 90.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.18 6.04 24.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.12 -172.95 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 t -123.64 158.73 30.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.469 ' HA ' ' CG2' ' A' ' 101' ' ' VAL . 8.3 t80 -44.84 -55.52 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -46.0 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -68.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.494 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 13.4 m -46.81 -34.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 mm -61.05 -60.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -47.91 -42.05 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.417 ' O ' ' OG ' ' A' ' 108' ' ' SER . 12.4 mt -60.76 -38.04 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -76.32 -19.79 57.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 103' ' ' ALA . 65.2 m-20 -105.52 20.54 18.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.39 1.056 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 20.4 m -62.07 -13.78 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 110' ' ' THR . 11.8 t0 60.05 -96.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 91.2 m -92.66 -63.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.43 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -114.07 161.27 17.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 114' ' ' LEU . 1.2 tm? -122.22 108.92 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.457 ' N ' HD22 ' A' ' 112' ' ' LEU . 36.7 tt0 -89.27 131.98 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 112' ' ' LEU . 29.1 mt -124.48 179.08 5.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -166.79 130.95 2.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.1 m -129.9 -173.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -131.26 97.55 19.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 149.19 36.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.066 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -95.37 139.35 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.392 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -124.91 143.67 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -144.96 123.9 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 m -95.5 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 114' ' ' LEU . 5.6 mp -141.09 156.95 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 6.7 mttm -130.49 117.02 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 114' ' ' LEU . 4.6 p90 -46.36 169.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 t -156.38 156.19 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.15 169.35 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 98' ' ' TYR . 2.5 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -109.48 157.3 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.6 t -79.51 149.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -112.64 -64.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.211 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -135.91 162.79 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.337 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -132.31 120.96 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -55.12 116.78 2.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.417 1.073 . . . . 0.0 109.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.69 92.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.65 33.74 2.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.62 -154.91 9.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -67.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -41.46 -50.71 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.02 -45.98 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -69.71 -53.27 19.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.5 -29.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.619 1.199 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.36 3.91 29.03 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.599 1.187 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.462 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.9 tp -54.89 -177.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.624 0.838 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -172.48 -164.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 p -103.9 133.3 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.12 -32.98 6.12 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -60.9 153.14 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -124.8 143.83 50.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.473 HG22 ' CG2' ' A' ' 88' ' ' VAL . 1.1 mp -82.09 119.35 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 49.9 pt -98.0 -35.59 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.465 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 1.2 mttt -133.24 161.31 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.473 ' CG2' HG22 ' A' ' 85' ' ' ILE . 37.9 t -153.83 102.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 91' ' ' GLU . 16.0 m-20 68.06 71.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.32 25.27 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 89' ' ' ASN . 1.1 mm-40 -120.28 128.24 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 1.9 m -91.31 30.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.428 HG13 ' CG1' ' A' ' 101' ' ' VAL . 10.3 m 40.63 32.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 92' ' ' SER . 44.1 mm -57.89 99.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.81 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.404 ' NZ ' ' CD2' ' A' ' 104' ' ' LEU . 26.2 mttt -40.85 124.15 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.4 t -76.18 171.9 13.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 63' ' ' ILE . 1.7 t80 -52.81 -33.04 47.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.583 1.177 . . . . 0.0 111.075 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 0.0 110.023 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.35 -51.0 61.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 0.0 110.349 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 93' ' ' VAL . 15.0 m -58.08 -33.79 47.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.7 mm -63.35 -50.13 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.04 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.404 ' CD2' ' NZ ' ' A' ' 96' ' ' LYS . 88.0 mt -55.8 -31.42 62.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 30.1 mt -80.7 -50.64 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.219 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.46 -38.15 80.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -97.42 23.85 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 37.6 t -81.01 -7.34 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.6 t0 81.77 -156.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.2 m -57.01 -60.66 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.447 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -90.34 159.84 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.36 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -153.6 127.17 8.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -110.38 140.74 44.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.429 1.081 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 12.6 mt -122.32 -176.9 3.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.27 131.34 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.411 ' CG1' HD11 ' A' ' 85' ' ' ILE . 22.8 m -131.14 -172.45 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 2.5 mmt -139.92 87.95 12.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.85 42.7 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 mttp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.217 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -88.46 147.77 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 m -130.41 138.85 50.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.74 129.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -105.3 151.07 24.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.427 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -135.8 152.54 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.206 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -127.26 118.0 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.475 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 5.1 p90 -46.99 169.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -148.89 157.12 43.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.83 160.0 16.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 101' ' ' VAL . 2.4 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.93 166.26 11.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.31 116.42 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -54.5 7.56 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -148.79 171.2 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.09 110.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -44.03 127.44 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.38 90.53 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.98 40.0 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.34 -156.6 9.6 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -49.5 -60.81 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -38.75 -34.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -78.23 -60.42 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.22 -32.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.27 4.38 14.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.6 tp -55.21 145.49 21.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -167.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 108.3 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 133.19 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.6 -23.75 23.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.82 160.86 13.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -133.43 141.72 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.461 ' N ' ' CD1' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -81.75 120.23 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.447 HD11 ' CE ' ' A' ' 87' ' ' LYS . 25.7 pt -102.09 -28.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' CE ' HD11 ' A' ' 86' ' ' ILE . 11.2 mttt -135.41 158.55 44.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.7 t -143.82 105.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.452 ' ND2' ' OG ' ' A' ' 108' ' ' SER . 55.3 m-20 57.08 31.23 19.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.48 28.7 51.73 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.58 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 0.697 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m 58.59 101.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 101' ' ' VAL . 24.5 m -99.21 50.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.4 mm -81.48 -61.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.05 40.51 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.643 1.214 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -123.62 161.56 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 1.2 t -110.51 173.87 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.432 ' N ' ' OG1' ' A' ' 97' ' ' THR . 29.0 t80 -50.02 -55.41 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -48.34 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.14 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.468 HG13 ' CG1' ' A' ' 93' ' ' VAL . 35.8 m -51.2 -37.52 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.04 -60.31 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.79 -36.27 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 108' ' ' SER . 48.3 mt -59.15 -37.62 77.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.393 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.55 -42.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.97 -25.84 63.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ALA . 30.7 m-80 -117.09 23.51 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.207 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.518 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER -77.38 0.07 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 108' ' ' SER . 11.5 t70 82.98 178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 14.6 m -37.18 -49.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.45 172.48 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.422 HD12 ' CG ' ' A' ' 114' ' ' LEU . 0.3 OUTLIER -158.6 108.3 2.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.39 139.36 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.422 ' CG ' HD12 ' A' ' 112' ' ' LEU . 14.5 mt -128.94 177.78 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 m -153.02 125.22 8.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 110.002 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 24.4 m -122.61 179.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.309 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -132.71 94.83 20.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 -178.97 4.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 40.7 tttt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.933 -0.449 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 11' ' ' THR . 13.8 tptt -93.13 149.14 21.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.8 m -135.14 136.27 41.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.24 124.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.1 m -103.75 154.14 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.361 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.412 HD23 ' CB ' ' A' ' 74' ' ' ALA . 4.4 mp -135.95 170.61 15.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -138.47 117.44 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.189 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -53.61 177.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -157.77 155.64 30.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.28 169.75 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 85' ' ' ILE . 1.1 mt . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -124.66 146.77 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.88 133.54 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -60.92 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.19 166.3 23.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.385 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.32 115.02 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 148.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -92.46 82.21 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.57 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 104.48 28.34 5.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.064 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.26 -155.61 29.53 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' GLU . 18.8 Cg_endo -74.96 -68.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.556 1.819 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' CB ' HD23 ' A' ' 14' ' ' LEU . . . -46.56 -42.19 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.57 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 69.3 t80 -54.73 -31.66 58.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -84.07 -52.71 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.1 -30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.74 6.12 17.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.7 tp -58.25 -177.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -175.46 -165.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.1 p -103.93 133.68 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.89 -11.25 41.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -81.25 137.23 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -104.25 144.92 30.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.384 1.053 . . . . 0.0 110.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 63' ' ' ILE . 27.1 mm -84.94 134.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.459 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 36.2 pt -116.55 -38.63 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.459 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 3.0 mttt -133.92 161.27 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 114' ' ' LEU . 41.6 t -153.4 124.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.16 36.2 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.29 12.99 52.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.439 ' OE1' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -94.59 124.51 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.83 108.91 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 27.5 m -112.15 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mp -64.04 -32.41 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.82 27.04 6.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -104.77 177.19 4.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 0.737 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.0 t -112.18 -172.34 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -72.42 -57.37 4.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.6 t -51.65 -22.22 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 1.183 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -77.55 -70.73 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 24.2 m -49.23 -27.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.43 -52.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.47 -33.83 64.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.439 ' CD2' ' OE1' ' A' ' 91' ' ' GLU . 55.2 mt -63.62 -41.69 98.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.419 ' O ' ' OG ' ' A' ' 108' ' ' SER . 6.0 mt -71.81 -23.71 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -91.33 -19.17 23.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.8 m-20 -105.77 20.16 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 111' ' ' THR . 0.7 OUTLIER -73.05 -5.74 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 110' ' ' THR . 14.1 t0 62.46 -100.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 17.0 m -92.97 -63.77 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 108' ' ' SER . 0.8 OUTLIER -98.83 176.08 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.91 106.24 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.046 . . . . 0.0 109.318 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -82.39 140.71 33.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.414 ' CD2' HG21 ' A' ' 88' ' ' VAL . 69.8 mt -130.53 -178.92 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m -164.13 131.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.61 -170.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.428 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.1 mmt -136.79 95.47 12.35 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 158.91 41.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.382 1.727 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -88.35 147.2 24.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -133.86 138.25 45.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.461 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -140.04 134.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -108.49 149.86 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 5.2 mp -137.75 143.44 41.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -117.9 115.38 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 114' ' ' LEU . 7.0 p90 -49.22 174.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.465 HG22 ' CG ' ' A' ' 66' ' ' LYS . 2.7 t -157.91 164.92 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -110.35 177.27 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.416 ' O ' ' O ' ' A' ' 64' ' ' PHE . 1.1 mp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 3.0 m-85 58.98 123.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.66 139.32 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.465 ' CG ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -86.78 -63.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -146.93 170.7 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.7 t -131.54 123.73 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -70.35 113.15 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 93.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.69 32.71 2.83 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -116.42 -158.44 11.38 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.97 -47.66 4.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.2 mm-40 -66.07 -54.87 20.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.98 -30.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.347 1.029 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 105.95 18.65 11.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.5 tp -67.4 166.49 14.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -145.96 -170.5 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 135.61 45.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.398 1.061 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.09 4.26 64.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.73 137.05 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -94.84 132.48 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.2 mm -82.97 122.89 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.477 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 26.8 pt -109.51 -47.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 1.7 mttt -132.44 167.05 20.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 89' ' ' ASN . 46.9 t -114.25 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.454 ' N ' HG11 ' A' ' 88' ' ' VAL . 3.2 p30 -104.61 58.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.391 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.95 38.2 49.0 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.405 1.065 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.42 -35.02 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.12 128.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.52 30.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.85 94.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.8 -29.58 12.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.622 ' HZ2' ' NE2' ' A' ' 100' ' ' GLN . 17.7 mttm -61.51 150.02 37.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 3.0 t -108.06 177.47 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.429 ' N ' ' OG1' ' A' ' 97' ' ' THR . 46.2 t80 -46.79 -65.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -48.41 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.942 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.622 ' NE2' ' HZ2' ' A' ' 96' ' ' LYS . 7.2 mt-30 -57.27 -71.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 102' ' ' ILE . 34.4 m -46.56 -44.48 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.429 HD12 ' CZ ' ' A' ' 98' ' ' TYR . 11.1 mm -44.53 -51.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.58 92.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -53.53 -24.63 13.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.402 ' O ' ' OG ' ' A' ' 108' ' ' SER . 28.4 mt -86.73 -48.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -59.92 -33.31 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.98 12.87 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 94.5 p -59.35 -22.61 61.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.0 t70 81.41 -151.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 m -55.22 -49.69 71.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.473 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.06 173.99 6.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.448 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.8 OUTLIER -159.22 112.52 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.448 ' N ' HD22 ' A' ' 112' ' ' LEU . 54.9 tt0 -97.8 150.61 21.07 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 13.5 mt -138.22 174.72 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.7 131.84 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 1.038 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.7 m -129.42 -170.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.35 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.8 96.53 13.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.78 13.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.577 1.83 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.67 142.03 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -128.6 138.15 52.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.18 128.73 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -98.95 152.56 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 112' ' ' LEU . 4.9 mp -140.2 121.13 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.541 ' N ' ' CD ' ' A' ' 15' ' ' LYS . 4.7 mptt -100.13 115.5 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.334 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.14 176.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -158.18 168.36 27.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.51 166.15 13.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.6 mp . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.5 m-30 -101.19 137.41 39.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' CG2' ' OD2' ' A' ' 83' ' ' ASP . 5.4 t -56.35 147.74 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -113.67 -35.53 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 12.0 mt-30 -163.53 164.98 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.62 1.2 . . . . 0.0 110.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.88 123.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -64.62 121.62 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.38 94.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.37 25.9 4.49 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.485 1.116 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.25 -166.41 22.96 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.426 1.751 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 79' ' ' LEU . . . -50.15 -46.37 53.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.79 -45.88 70.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -72.54 -49.41 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.232 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.29 -25.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.42 6.85 26.93 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 12' ' ' VAL . 2.5 tp -68.06 147.76 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 p -142.91 -159.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 108.262 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.4 p -103.72 130.38 51.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.03 -30.08 7.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -59.38 128.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 0.79 . . . . 0.0 109.347 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 ptt-85 -94.49 152.87 18.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.1 mm -91.52 127.05 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.493 ' C ' ' CD ' ' A' ' 87' ' ' LYS . 2.7 pt -114.38 -37.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.493 ' CD ' ' C ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -144.47 165.96 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.221 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 89' ' ' ASN . 23.3 t -124.26 -122.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.45 ' N ' HG13 ' A' ' 88' ' ' VAL . 73.4 m-20 -80.96 71.74 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.22 26.41 67.68 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.91 -176.88 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.7 m -134.91 107.73 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.475 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 10.8 m -110.47 47.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.9 mt -64.79 -61.0 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.382 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.45 20.37 23.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -74.68 162.7 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 t -99.98 161.43 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -50.88 -52.49 41.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 t -49.39 -43.82 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.066 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.74 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 18.2 m -48.11 -42.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.38 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.3 mm -51.22 -52.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.87 93.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.213 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.6 mt -52.04 -24.69 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.223 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.5 mt -89.26 -49.21 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.53 -32.99 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.25 16.24 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 109.355 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 95.1 p -63.92 -22.33 66.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.2 t0 81.11 -154.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.1 m -53.65 -51.76 62.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.411 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -102.28 159.71 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -144.22 111.59 5.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.433 ' N ' HD22 ' A' ' 112' ' ' LEU . 14.6 tt0 -95.21 148.85 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.4 mt -138.39 168.89 18.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -147.56 130.21 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.6 m -127.14 -178.4 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 57.5 mmm -128.64 102.87 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 158.06 42.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 109.335 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.93 -0.45 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HD3' ' CG2' ' A' ' 116' ' ' VAL . 0.3 OUTLIER -113.33 123.11 49.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 m -117.47 155.45 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -141.66 142.53 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -117.22 144.73 44.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.7 mp -127.68 142.94 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 15.1 mmtt -105.92 114.82 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.079 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.415 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 8.8 p90 -179.02 164.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' LYS . 12.4 t -154.82 161.23 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.18 175.51 5.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.401 HG21 ' CG1' ' A' ' 85' ' ' ILE . 7.8 mm . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 21.2 m-85 54.69 107.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 80' ' ' CYS . 87.2 t -51.87 156.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' THR . 4.0 tptm -112.94 -56.43 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 1.0 OUTLIER -136.28 170.08 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 t -153.83 117.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -56.35 123.37 14.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -71.2 83.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.568 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 122.87 4.44 8.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -81.32 -163.05 30.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -53.24 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -53.13 -53.89 43.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.568 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 3.0 t80 -48.13 -53.58 16.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 4.2 mm-40 -59.5 -52.98 63.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.1 -28.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.13 22.85 6.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 tp -82.58 -170.67 3.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 0.747 . . . . 0.0 109.374 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.473 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER 178.15 -165.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 108.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 67' ' ' GLN . 4.7 p -103.16 130.68 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.19 -32.15 7.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.04 131.21 31.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -93.77 133.91 36.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.226 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.401 ' CG1' HG21 ' A' ' 63' ' ' ILE . 18.8 mm -82.62 137.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.451 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 50.4 pt -114.02 -34.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.35 162.96 31.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.8 118.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 45.2 m-20 46.33 55.91 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.41 21.94 6.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.449 ' CB ' HD11 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -123.16 82.27 1.98 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 p -40.17 131.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 101' ' ' VAL . 2.8 m -64.42 -31.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 mp -46.3 111.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.59 14.72 26.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -122.01 163.93 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 99' ' ' SER . 7.0 t -113.45 51.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.46 ' HB3' ' O ' ' A' ' 97' ' ' THR . 35.7 t80 58.01 -75.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -37.94 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.019 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -64.68 -63.14 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.467 HG12 ' CG1' ' A' ' 93' ' ' VAL . 35.3 m -55.69 -31.84 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.407 ' N ' HG21 ' A' ' 101' ' ' VAL . 13.9 mm -54.53 -46.19 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -60.6 -39.21 87.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 91' ' ' GLU . 80.4 mt -59.14 -36.55 75.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.7 mt -73.04 -36.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.38 -31.47 60.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 103' ' ' ALA . 37.2 m-20 -93.43 21.25 6.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.9 p -52.31 -20.22 2.58 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.373 1.046 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.442 ' CG ' ' N ' ' A' ' 110' ' ' THR . 3.7 t70 60.34 -91.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 55.0 m -91.57 -61.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.412 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -126.24 168.03 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.464 ' CD1' HD12 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -126.79 107.82 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 112' ' ' LEU . 23.2 tt0 -83.08 130.79 35.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 112' ' ' LEU . 38.8 mt -127.19 169.45 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -155.07 129.98 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.519 ' CG2' ' HD3' ' A' ' 10' ' ' LYS . 7.9 m -124.04 -168.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.6 mmt -148.35 89.16 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 111.014 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.04 159.35 41.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.802 0 N-CA-C 110.945 -0.444 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' CD ' ' HG3' ' A' ' 118' ' ' PRO . 1.7 tttt -94.82 123.56 38.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -111.31 148.24 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -135.03 134.91 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -107.11 135.76 48.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.75 135.59 55.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.1 120.46 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.621 1.201 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.474 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.5 p90 -179.19 160.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.522 ' CG2' ' CG ' ' A' ' 67' ' ' GLN . 2.8 t -140.01 161.09 38.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -110.03 177.65 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.543 ' O ' ' CG ' ' A' ' 64' ' ' PHE . 2.3 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 39.7 m-85 -162.54 145.79 11.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.99 141.73 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HB3' ' CG2' ' A' ' 24' ' ' THR . 0.0 OUTLIER -108.77 -30.71 8.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.365 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.522 ' CG ' ' CG2' ' A' ' 24' ' ' THR . 3.7 pt20 -155.28 179.95 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 67' ' ' GLN . 25.9 t -160.53 127.17 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 13.0 tptt -69.73 113.51 7.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 98.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.58 25.21 4.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.386 1.054 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.58 -160.39 16.08 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -65.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -42.57 -44.77 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.05 -55.4 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.5 -46.51 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.378 1.049 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.32 -24.33 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.6 1.188 . . . . 0.0 109.229 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.14 10.35 30.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -75.75 170.25 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 0.77 . . . . 0.0 109.187 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.7 -158.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 m -104.05 152.25 22.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.296 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.66 -22.04 15.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.77 136.28 57.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -95.28 149.19 21.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.3 mm -94.57 127.07 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.521 ' C ' ' CD ' ' A' ' 87' ' ' LYS . 4.4 pt -110.9 -38.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.521 ' CD ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -146.25 164.02 33.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.433 HG11 ' N ' ' A' ' 89' ' ' ASN . 46.4 t -109.99 -115.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.433 ' N ' HG11 ' A' ' 88' ' ' VAL . 5.1 p30 -105.19 53.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.78 34.98 10.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.22 107.18 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.45 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . 69.0 m -58.74 119.09 6.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.4 m -83.54 52.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.3 mm -102.63 119.84 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.53 54.81 4.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 92' ' ' SER . 40.7 mttp -129.33 166.23 19.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 97' ' ' THR . 4.9 t -134.0 49.85 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.465 ' HA ' ' CG2' ' A' ' 101' ' ' VAL . 5.2 t80 67.56 -61.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.2 OUTLIER -47.76 -30.74 4.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -64.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.469 HG21 ' CD1' ' A' ' 63' ' ' ILE . 7.6 m -53.04 -40.42 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 mm -46.78 -49.56 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.55 -43.66 76.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.6 mt -53.51 -36.47 61.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 108' ' ' SER . 7.8 mt -74.26 -33.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.85 -16.89 52.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.204 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.5 m-80 -79.16 -14.56 59.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -49.04 -58.02 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 40.1 t0 70.77 -69.8 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.2 m -94.21 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.09 148.69 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.38 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.8 OUTLIER -123.0 117.42 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.359 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 89' ' ' ASN . 26.5 tt0 -99.28 143.68 29.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.2 mt -137.88 165.6 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 15.0 m -142.27 125.96 16.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.5 m -121.59 -167.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 5.3 mmt -147.51 89.86 5.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.445 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -74.96 150.55 38.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.219 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.508 ' HD3' ' CG2' ' A' ' 116' ' ' VAL . 0.8 OUTLIER -103.43 119.25 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.4 m -96.53 134.4 39.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.21 . . . . 0.0 110.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.12 124.62 60.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.0 m -97.12 148.9 22.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 114' ' ' LEU . 5.8 mp -134.36 156.07 49.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -121.45 120.97 36.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.472 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.5 p90 -59.88 169.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -158.1 170.2 22.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.426 ' N ' ' CD2' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -121.29 158.72 27.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.07 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.1 mp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -136.56 123.79 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 80' ' ' CYS . 87.5 t -49.78 142.93 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -107.81 -48.47 3.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 161.44 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.8 t -134.78 115.0 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -49.96 106.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 86.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.51 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 117.07 12.39 8.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.46 1.1 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.24 -156.91 32.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.373 1.722 . . . . 0.0 110.978 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -43.65 -51.47 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.51 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 4.3 t80 -47.48 -49.02 26.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.428 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.9 mm-40 -70.87 -51.37 26.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.12 -27.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 113.54 11.69 12.76 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.478 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.0 tp -73.92 159.07 33.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 0.717 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.41 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -156.15 -160.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 108.382 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.7 p -103.51 137.95 40.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.23 -20.5 42.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -72.69 125.6 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -94.01 150.34 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.1 mm -88.35 134.06 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.459 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 41.5 pt -116.84 -38.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.459 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 10.0 mttt -132.99 160.11 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 51.2 t -146.28 110.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 61.74 17.14 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.7 -9.68 57.11 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.11 121.89 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 110.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 p -74.36 112.17 10.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 m -51.64 -22.91 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 26.7 mm -48.55 116.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.1 -39.65 2.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -67.64 162.24 24.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.9 160.93 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.408 ' O ' ' CG2' ' A' ' 101' ' ' VAL . 29.5 t80 -38.18 -62.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -55.23 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.943 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -51.28 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.629 1.206 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 98' ' ' TYR . 30.9 m -47.38 -38.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.6 mm -59.99 -54.43 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.73 69.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.1 mt -51.42 -33.19 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.69 -46.54 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.92 -33.94 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.242 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -105.79 21.23 17.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 83.1 p -56.71 -20.4 21.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.8 t0 81.78 -152.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -47.24 -60.2 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.54 -175.72 2.87 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -152.13 111.12 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.429 ' N ' HD23 ' A' ' 112' ' ' LEU . 19.6 tt0 -94.13 135.64 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 14' ' ' LEU . 29.0 mt -127.02 -173.68 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.08 131.59 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.508 ' CG2' ' HD3' ' A' ' 10' ' ' LYS . 11.2 m -127.4 -164.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.2 mmt -141.57 87.92 10.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.501 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 17.9 Cg_endo -75.06 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.798 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 118' ' ' PRO . 7.3 tttt -90.56 152.16 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 m -135.37 131.18 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.37 125.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.7 m -101.1 153.14 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 74' ' ' ALA . 4.4 mp -135.72 156.86 48.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -131.71 115.65 16.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.351 1.032 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.551 ' CZ ' HD12 ' A' ' 114' ' ' LEU . 7.2 p90 -45.92 173.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 t -153.87 170.9 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.53 162.47 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.408 ' CD1' HG22 ' A' ' 101' ' ' VAL . 1.8 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -111.39 132.97 54.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.7 t -51.87 156.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.11 162.78 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 23.9 t -134.58 108.63 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -40.15 121.95 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.67 76.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 116.38 32.22 1.68 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -107.3 -154.78 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -75.02 -68.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.586 1.835 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.438 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -44.25 -38.51 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.447 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 25.0 t80 -60.45 -40.35 90.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 2.3 mm-40 -69.13 -49.09 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.72 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.38 15.42 38.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.339 1.025 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.482 ' CD1' HG21 ' A' ' 12' ' ' VAL . 3.3 tp -64.52 154.59 35.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 16.6 p -141.91 -164.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 157.48 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.54 -31.15 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -59.04 128.87 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -94.62 148.81 21.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.0 mm -82.41 129.81 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.473 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 34.6 pt -111.86 -34.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -137.27 163.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 87' ' ' LYS . 56.0 t -157.64 104.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.46 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 0.9 OUTLIER 58.96 39.96 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.3 21.7 9.03 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.554 1.158 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -15.4 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 0.731 . . . . 0.0 110.233 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t 61.33 105.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.435 ' CG1' ' HB ' ' A' ' 88' ' ' VAL . 13.8 m -89.77 48.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.1 mm -95.01 102.93 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.37 -45.83 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.587 1.179 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -42.65 151.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 11.4 t -85.47 -154.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.437 ' N ' ' OG1' ' A' ' 97' ' ' THR . 22.6 t80 -83.59 -51.97 6.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -44.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.06 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -52.1 -66.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.408 HG22 ' CD1' ' A' ' 63' ' ' ILE . 34.8 m -52.89 -38.05 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.7 mm -58.42 -46.83 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.403 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -62.25 -32.71 73.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.447 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 10.5 mt -64.95 -29.34 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.0 mt -84.3 -36.57 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -78.9 -24.1 44.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.524 ' C ' ' OD1' ' A' ' 107' ' ' ASN . 41.3 p30 -99.65 -0.37 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.444 ' OG ' ' ND2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -71.42 -6.33 39.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.9 t70 76.84 -156.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.5 m -53.9 -60.73 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 155.49 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.412 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.46 ' CD2' ' OD1' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -152.2 120.33 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.43 ' N ' HD22 ' A' ' 112' ' ' LEU . 39.8 tt0 -98.25 148.23 23.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.551 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 24.5 mt -131.53 -179.48 5.39 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.06 125.26 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 10.3 m -125.26 -174.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 0.0 OUTLIER -144.9 82.29 10.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.638 1.211 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.461 ' CG ' ' HD3' ' A' ' 10' ' ' LYS . 18.4 Cg_endo -74.95 -178.19 3.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.593 1.839 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.09 -0.388 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.55 ' CD ' ' CG2' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -105.61 128.21 53.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.5 m -116.95 130.78 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -138.46 143.84 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -111.43 155.42 23.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 114' ' ' LEU . 5.5 mp -139.6 130.5 26.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.498 ' HG3' ' CG2' ' A' ' 111' ' ' THR . 0.0 OUTLIER -97.73 113.68 25.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 110' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.3 p90 -45.88 170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.73 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 t -145.48 162.31 37.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.35 172.84 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 110.254 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.7 mp . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.0 m-85 -121.79 130.48 53.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.629 1.205 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.4 t -51.76 147.45 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -117.5 -49.15 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.067 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.14 167.26 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.46 114.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 1.5 tptp -57.88 115.98 3.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 92.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.44 19.08 7.23 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.401 1.063 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.72 -159.78 27.75 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -50.33 -47.36 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.86 -46.27 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.5 mm-40 -73.23 -50.19 23.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.186 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.48 -26.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.248 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 103.02 21.05 10.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.7 tp -79.17 162.96 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 0.811 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.53 -160.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.33 160.89 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.6 62.54 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.69 121.76 29.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 0.812 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 19.8 ptt180 -94.0 150.11 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.238 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.447 HD12 ' CG1' ' A' ' 116' ' ' VAL . 13.3 mm -90.89 141.01 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.218 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 6.7 pt -121.53 -41.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 4.7 mttt -125.49 161.53 26.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' GLU . 38.7 t -150.73 118.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 48.39 27.74 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.41 33.13 85.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.429 1.081 . . . . 0.0 111.077 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -108.12 -7.18 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 0.0 110.251 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m 62.46 144.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.053 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 86' ' ' ILE . 10.5 m -100.43 -25.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mp -51.72 122.48 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.07 -23.18 36.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -81.3 156.83 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 97' ' ' THR . 13.3 t -114.8 62.38 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.455 ' O ' ' N ' ' A' ' 100' ' ' GLN . 24.0 t80 55.53 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.393 1.058 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -35.61 -34.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 11.6 mt-30 -63.81 -57.39 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' TYR . 13.9 m -63.21 -31.32 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 mm -54.83 -49.91 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -56.17 -44.89 79.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 108' ' ' SER . 47.6 mt -52.13 -42.9 63.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.7 mt -67.22 -45.33 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.221 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.02 -30.19 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 103' ' ' ALA . 34.5 m-80 -113.65 28.19 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 1.9 m -77.01 -0.1 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.05 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 108' ' ' SER . 5.6 t70 84.15 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 88.1 m -41.05 -36.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.609 1.193 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.498 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -116.3 177.49 4.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.372 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -156.49 111.94 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -90.28 128.53 36.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.408 ' CD1' HD12 ' A' ' 14' ' ' LEU . 28.6 mt -108.28 172.09 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.88 117.42 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.55 ' CG2' ' CD ' ' A' ' 10' ' ' LYS . 34.0 m -130.8 174.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.67 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -141.58 49.25 1.4 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.67 ' HD3' ' N ' ' A' ' 117' ' ' MET . 18.5 Cg_endo -74.91 160.19 40.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.594 ' CD ' ' HG3' ' A' ' 118' ' ' PRO . 0.3 OUTLIER -126.82 119.22 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 m -96.87 129.74 44.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -127.64 141.87 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.8 m -110.01 147.48 33.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mp -133.81 160.47 37.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ARG . 14.7 mttt -129.04 120.83 26.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LYS . 5.3 ttt180 . . . . . 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.413 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.456 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 7.2 p90 -51.09 172.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.03 160.49 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.35 176.24 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.5 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -135.42 139.34 44.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.07 138.88 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.42 -54.65 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -151.68 172.38 16.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.83 127.68 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 30.0 tptt -69.55 113.92 7.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.68 91.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.24 28.03 3.72 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.574 1.171 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.62 -160.72 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -62.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -44.93 -51.7 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -48.12 -46.75 34.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -71.61 -51.97 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.19 -27.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.435 ' O ' ' NZ ' ' A' ' 10' ' ' LYS . . . 105.06 23.95 7.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.491 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -82.96 165.64 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.12 -160.8 1.04 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 0.0 108.375 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 156.42 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.61 -22.97 14.19 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -70.23 131.59 44.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -100.06 149.35 23.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -84.3 137.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.45 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 20.4 pt -120.88 -40.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.482 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 4.0 mttt -129.7 158.93 38.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 87' ' ' LYS . 54.1 t -157.58 137.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 m120 45.11 40.84 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.391 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.76 34.02 50.09 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -116.28 160.08 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.225 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -95.72 102.67 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 m -92.16 37.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.86 87.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.09 -38.09 2.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -44.59 153.48 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 100' ' ' GLN . 5.2 t -95.36 149.77 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.512 ' CZ ' ' CD1' ' A' ' 102' ' ' ILE . 68.7 t80 -39.26 -46.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -52.1 -44.29 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 97' ' ' THR . 47.8 mt-30 -61.71 -68.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 98' ' ' TYR . 11.2 m -46.9 -39.67 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.512 ' CD1' ' CZ ' ' A' ' 98' ' ' TYR . 2.0 mm -50.39 -48.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.17 87.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 mt -47.7 -38.02 14.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 47.7 mt -74.69 -49.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -58.07 -23.58 55.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -110.24 16.77 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 77.2 p -61.97 -15.79 46.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 75.23 -157.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -46.36 -61.28 1.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.41 176.0 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.628 1.205 . . . . 0.0 110.411 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.0 109.6 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -92.79 138.82 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.3 mt -126.88 177.26 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.12 132.82 6.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.411 ' CG2' ' HD3' ' A' ' 10' ' ' LYS . 10.9 m -134.16 -175.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -125.99 86.18 58.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.594 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.16 164.26 33.41 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.378 1.725 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.954 -0.441 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.468 ' CD ' ' HG3' ' A' ' 118' ' ' PRO . 4.9 tttt -93.87 128.2 40.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -117.7 146.66 43.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.479 HG23 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -141.9 129.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.35 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -98.98 148.35 24.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' A' ' 23' ' ' PHE . 5.4 mp -134.42 156.92 47.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -126.94 123.23 36.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.467 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 18.0 p90 -48.06 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.79 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.7 t -141.1 162.34 35.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.609 1.193 . . . . 0.0 110.385 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -108.39 176.54 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -140.92 141.33 34.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.39 149.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -119.1 -44.7 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -140.09 163.52 32.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' GLU . 12.7 t -137.39 107.93 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.6 tmtt? -42.39 98.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' VAL . 6.8 tt0 -59.27 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.59 24.3 5.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.22 -150.14 13.59 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -68.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -43.29 -45.12 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.552 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 16.0 t80 -52.13 -50.87 60.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.53 -49.82 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.54 -23.02 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.74 21.82 20.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 12' ' ' VAL . 3.1 tp -70.04 163.02 27.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.5 -164.82 2.11 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 m -104.29 156.9 17.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.96 -19.77 28.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -64.89 153.15 41.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.781 . . . . 0.0 109.307 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.34 135.87 53.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 85' ' ' ILE . 1.4 mp -82.5 118.42 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.474 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 34.5 pt -99.36 -29.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 19.7 mttt -130.17 165.46 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 91' ' ' GLU . 77.2 t -155.52 117.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.197 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 88' ' ' VAL . 0.2 OUTLIER 39.09 57.38 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 39.96 36.4 0.82 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' VAL . 3.4 tm-20 -108.5 -26.53 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.27 128.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.457 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 8.7 m -109.53 54.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.08 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.65 -36.26 4.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.468 ' CD ' HD12 ' A' ' 104' ' ' LEU . 16.3 mttm -44.34 136.96 3.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 0.756 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -88.63 158.4 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.445 ' CE1' HD13 ' A' ' 102' ' ' ILE . 14.8 t80 -40.7 -54.34 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -53.06 -44.0 67.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.939 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -61.49 -65.58 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 18.4 m -48.02 -46.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.366 1.041 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.445 HD13 ' CE1' ' A' ' 98' ' ' TYR . 2.4 mm -42.67 -46.09 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.468 HD12 ' CD ' ' A' ' 96' ' ' LYS . 23.9 mt -51.1 -38.21 50.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.416 ' O ' ' OG ' ' A' ' 108' ' ' SER . 46.7 mt -73.84 -46.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -61.52 -27.32 68.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -101.72 8.63 41.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 90.6 p -60.23 -14.68 18.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.1 t70 79.72 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 m -51.95 -59.96 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.95 165.48 12.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -148.88 109.97 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 0.0 109.38 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.427 ' N ' HD22 ' A' ' 112' ' ' LEU . 28.9 tt0 -95.12 139.94 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 mt -128.77 176.46 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 m -153.5 123.8 7.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.41 ' CG2' ' HD3' ' A' ' 10' ' ' LYS . 17.6 m -124.52 176.68 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.438 ' CG ' HD12 ' A' ' 86' ' ' ILE . 1.5 mmt -133.24 90.07 31.26 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.468 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 169.48 22.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.747 . . . . 0.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.5 tptt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HD3' ' CG2' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -120.62 132.42 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -103.82 146.73 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.496 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.77 128.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.182 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.1 m -107.96 159.16 16.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.454 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 74' ' ' ALA . 5.0 mp -141.1 149.24 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.478 ' CD ' HG21 ' A' ' 111' ' ' THR . 1.1 mmmm -131.92 113.68 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 5.3 p90 -145.48 172.77 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.64 157.6 35.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.51 179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 64' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' O ' ' O ' ' A' ' 63' ' ' ILE . 15.5 m-85 55.52 112.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.1 t -54.74 132.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -62.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.608 1.192 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -151.14 178.5 9.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.74 131.14 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -76.39 136.34 39.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 94.88 7.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.4 37.51 0.92 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.56 -168.93 13.11 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 111.045 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -50.87 -58.81 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -40.88 -50.4 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.4 mm-40 -62.84 -54.82 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.5 -32.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.43 9.54 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.496 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.4 tp -66.74 160.75 25.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -157.81 -162.05 1.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.29 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.0 p -102.75 130.86 49.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.17 -27.63 11.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -67.15 122.8 18.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.408 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 8.1 ptp180 -94.32 151.24 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -88.02 138.0 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.45 ' CG1' ' HE3' ' A' ' 87' ' ' LYS . 10.3 pt -117.39 -35.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.45 ' HE3' ' CG1' ' A' ' 86' ' ' ILE . 1.4 mttt -134.37 163.9 28.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' GLU . 77.3 t -148.21 124.9 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 45.18 27.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.24 97.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -102.19 -6.01 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 110.351 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t 58.27 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.426 HG11 ' CG1' ' A' ' 101' ' ' VAL . 11.4 m -99.27 26.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mm -62.82 -33.18 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.99 36.6 3.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -122.95 155.39 36.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.721 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.56 168.04 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -49.62 -61.42 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -34.91 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -69.68 -72.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG1' HG11 ' A' ' 93' ' ' VAL . 33.6 m -47.18 -38.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.225 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.3 mm -47.52 -54.88 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -58.51 -44.24 89.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.406 ' O ' ' OG ' ' A' ' 108' ' ' SER . 30.3 mt -52.98 -37.31 61.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 mt -74.69 -46.72 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -64.44 -24.48 67.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.7 m-80 -113.97 25.53 11.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 112' ' ' LEU . 3.3 m -78.23 -12.53 60.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.925 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 110' ' ' THR . 10.8 t70 75.37 -175.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 26.3 m -37.66 -61.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.478 HG21 ' CD ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -86.52 162.87 17.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -159.93 109.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.402 ' N ' HD23 ' A' ' 112' ' ' LEU . 31.1 tt0 -90.18 131.07 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 34.5 mt -114.23 166.17 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -143.95 127.4 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.497 ' CG2' ' HD3' ' A' ' 118' ' ' PRO . 35.4 m -135.09 -167.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.204 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.595 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -163.98 54.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.595 ' HD3' ' N ' ' A' ' 117' ' ' MET . 17.8 Cg_endo -75.09 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.4 tttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.333 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 11' ' ' THR . 14.0 tptt -132.35 142.46 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 95.0 m -127.97 139.79 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.342 1.026 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.65 122.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 m -96.99 158.04 15.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mp -144.38 164.04 31.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 13.6 mttt -123.85 129.78 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 110.235 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CZ ' HD13 ' A' ' 114' ' ' LEU . 1.2 p90 -168.22 170.39 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.489 HG22 ' CG ' ' A' ' 66' ' ' LYS . 2.5 t -144.88 162.21 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -109.72 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.405 HG22 ' CG1' ' A' ' 85' ' ' ILE . 2.7 mp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 71.2 m-85 -84.33 124.96 31.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 83' ' ' ASP . 41.4 t -54.4 123.69 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 0.0 109.393 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.489 ' CG ' HG22 ' A' ' 24' ' ' THR . 8.9 tptt -77.29 -55.15 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 2.5 pt20 -149.5 -179.64 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 18.9 t -145.8 110.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -46.22 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -114.92 88.29 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.85 2.47 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 -167.33 20.24 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -57.73 -44.96 86.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.22 -44.54 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.6 mm-40 -71.67 -49.4 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.15 -27.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.92 11.67 22.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.489 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.8 tp -64.5 -176.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 0.724 . . . . 0.0 109.378 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.467 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -178.29 -161.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 108.268 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -103.75 133.16 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.32 -27.17 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.4 OUTLIER -69.68 117.82 11.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.226 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.43 ' CG ' ' HE1' ' A' ' 117' ' ' MET . 0.1 OUTLIER -93.71 149.29 21.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.307 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.405 ' CG1' HG22 ' A' ' 63' ' ' ILE . 10.6 mm -87.62 145.01 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.452 ' CG1' ' HE3' ' A' ' 87' ' ' LYS . 8.1 pt -122.48 -42.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.452 ' HE3' ' CG1' ' A' ' 86' ' ' ILE . 1.1 mttt -128.45 163.09 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.7 t -143.11 125.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 48.2 24.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.56 32.42 83.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -98.54 -27.51 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m 73.5 138.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -90.66 41.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.292 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -73.21 101.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.431 1.082 . . . . 0.0 109.171 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.74 6.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -44.39 161.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 99' ' ' SER . 13.9 t -131.17 59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' GLN . 9.8 t80 56.68 -78.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -37.35 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.3 mt-30 -64.95 -62.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 98' ' ' TYR . 8.5 m -53.22 -37.17 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.1 mm -48.64 -50.3 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.44 74.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.5 mt -51.54 -41.88 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.42 -47.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.58 -40.22 86.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.96 22.91 10.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.045 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 47.3 p -51.22 -22.32 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.96 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' SER . 10.5 t0 80.58 -151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -42.77 -61.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.45 1.093 . . . . 0.0 110.355 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' THR . . . . . 0.437 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -116.54 170.29 8.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.433 HD23 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -134.8 113.05 11.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.406 1.066 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.433 ' N ' HD23 ' A' ' 112' ' ' LEU . 11.9 tt0 -94.1 134.15 36.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.517 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 32.1 mt -119.76 159.97 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.74 122.97 22.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.43 ' CG2' ' HD3' ' A' ' 118' ' ' PRO . 27.6 m -129.34 -166.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' MET . . . . . 0.569 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -165.82 55.24 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HD3' ' N ' ' A' ' 117' ' ' MET . 18.1 Cg_endo -75.03 169.47 22.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.3 tptt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.209 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -122.13 143.32 49.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.0 m -129.89 138.06 50.73 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.432 HG23 ' CD1' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -141.25 136.73 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.2 m -108.21 154.64 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mp -137.56 151.59 48.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -132.6 114.09 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 74' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -177.37 -177.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 0.775 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -158.49 162.27 37.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.517 ' CD1' ' CG2' ' A' ' 63' ' ' ILE . 1.6 mm? -115.4 177.52 4.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 1.1 mp . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 25.3 m-85 57.72 117.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 80' ' ' CYS . 44.4 t -71.81 125.98 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.62 -57.11 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.455 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 23.0 mt-30 -135.73 176.43 8.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -154.48 113.46 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -39.86 136.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.37 98.25 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.47 33.17 3.7 Favored Glycine 0 CA--C 1.533 1.177 0 O-C-N 124.435 1.085 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.25 -157.91 10.5 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.18 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' PRO . . . -40.19 -46.98 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.07 -55.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.9 mm-40 -65.27 -45.34 84.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.371 1.045 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.23 -26.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.247 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.91 6.58 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.432 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.3 tp -68.37 -177.07 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . 0.459 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER 179.36 -165.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 108.297 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 67' ' ' GLN . 51.9 p -103.27 134.11 47.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.99 -40.86 2.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -51.89 129.18 26.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 0.745 . . . . 0.0 109.219 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 24.3 ptt-85 -93.9 146.0 24.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.404 ' CG1' HG22 ' A' ' 63' ' ' ILE . 30.0 mm -83.73 132.95 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.467 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 41.1 pt -111.08 -35.58 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 4.9 mttt -135.99 165.44 25.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' GLU . 74.8 t -154.01 118.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.458 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 3.0 m-20 48.31 34.08 4.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.01 29.01 74.26 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.091 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.8 OUTLIER -112.82 90.68 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 0.794 . . . . 0.0 110.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . 17.7 m -38.65 115.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.448 HG11 ' CG1' ' A' ' 101' ' ' VAL . 12.1 m -78.43 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 109.375 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.24 126.62 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.4 13.99 82.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.584 1.178 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.411 ' NZ ' ' O ' ' A' ' 92' ' ' SER . 53.5 mttp -97.43 158.96 15.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 99' ' ' SER . 12.4 t -119.25 60.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' GLN . 13.3 t80 56.15 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.9 OUTLIER -37.43 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.5 mm-40 -62.53 -55.86 23.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.448 ' CG1' HG11 ' A' ' 93' ' ' VAL . 28.2 m -62.13 -29.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.8 mm -58.82 -48.35 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -57.45 -31.64 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.451 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 26.1 mt -66.76 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.2 mt -78.65 -34.52 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -80.44 -26.67 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . 0.552 ' C ' ' OD1' ' A' ' 107' ' ' ASN . 35.9 p30 -98.45 1.45 46.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -69.42 -12.69 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.4 t70 81.18 -152.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -55.01 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.13 165.46 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.458 ' CD2' ' OD1' ' A' ' 89' ' ' ASN . 1.5 tm? -160.48 114.53 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.457 ' N ' HD21 ' A' ' 112' ' ' LEU . 25.7 tt0 -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.408 ' HG ' ' CD1' ' A' ' 112' ' ' LEU . 27.0 mt -125.49 174.88 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.61 123.86 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 34.2 m -117.92 -178.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.41 98.0 33.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.81 26.17 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HD3' ' CG2' ' A' ' 116' ' ' VAL . 0.2 OUTLIER -92.61 136.25 33.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -113.35 145.83 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -137.49 119.86 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.2 m -91.51 139.72 30.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' CD2' ' HB1' ' A' ' 74' ' ' ALA . 5.4 mp -124.13 164.25 19.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -133.83 113.3 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PHE . . . . . 0.483 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.4 p90 -43.9 167.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -141.47 164.97 28.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -110.83 166.1 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -91.42 146.53 23.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -73.64 145.43 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.81 -47.68 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -157.85 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.238 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.17 116.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.93 153.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.82 74.72 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLY . . . . . 0.546 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.24 32.44 2.57 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.56 -152.35 20.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -68.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -47.13 -44.6 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 76.0 t80 -51.5 -33.43 31.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -81.64 -55.42 4.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.42 -30.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.87 4.66 29.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' HG22 ' A' ' 12' ' ' VAL . 2.0 tp -51.52 -178.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.14 -164.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 p -103.77 131.68 50.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.135 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.45 -41.22 2.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -52.64 124.35 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.15 148.54 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.348 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mp -82.61 131.55 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.621 1.201 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ILE . . . . . 0.494 ' C ' ' CD ' ' A' ' 87' ' ' LYS . 3.9 pt -112.36 -33.03 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.494 ' CD ' ' C ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -142.43 150.11 40.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 89' ' ' ASN . 93.3 t -136.32 129.3 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ASN . . . . . 0.5 ' C ' ' O ' ' A' ' 88' ' ' VAL . 0.2 OUTLIER 33.21 44.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.42 51.82 5.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -108.37 -23.5 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER 85.33 111.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' VAL . . . . . 0.455 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 4.0 m -135.51 53.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.49 -38.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.371 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -126.32 29.45 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -95.83 149.32 21.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.8 166.14 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' TYR . . . . . 0.516 ' CE1' HD12 ' A' ' 102' ' ' ILE . 19.0 t80 -54.77 -64.02 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.33 -30.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -71.04 0.31 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' VAL . . . . . 0.455 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 33.8 m -50.03 -30.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.516 HD12 ' CE1' ' A' ' 98' ' ' TYR . 4.0 mm -56.6 -47.73 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.53 84.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.35 -29.23 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.43 -44.5 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.64 -29.12 70.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -102.28 11.37 38.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 62.5 p -53.89 -20.09 5.48 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 2.9 t70 81.06 -151.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.8 m -53.58 -51.31 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.81 178.88 4.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . 0.425 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -152.67 109.06 3.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.425 ' N ' HD22 ' A' ' 112' ' ' LEU . 35.4 tt0 -93.34 132.88 37.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LEU . . . . . 0.458 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 10.0 mt -128.82 168.6 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' SER . . . . . 0.456 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 8.7 t -143.49 127.33 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.496 ' CG2' ' HD3' ' A' ' 10' ' ' LYS . 3.4 m -118.34 -168.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.1 mmt -139.77 87.86 12.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' PRO . . . . . 0.481 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.4 Cg_endo -75.06 170.64 19.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m 60.3 161.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.07 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -175.15 158.27 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.95 48.4 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.08 108.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 109.963 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.99 82.16 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.54 135.0 6.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.568 1.167 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.16 156.65 10.55 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.463 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.2 Cg_endo -75.08 140.53 25.34 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -88.2 144.06 26.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -133.43 138.68 46.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG23 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -138.37 129.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.3 m -103.15 141.61 35.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 HD22 ' N ' ' A' ' 74' ' ' ALA . 5.1 mp -130.71 150.13 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.411 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 12.6 mttt -110.37 133.29 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -55.38 112.5 1.12 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.389 1.056 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -138.39 119.99 15.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . 4.5 m 49.62 49.57 19.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 67.01 -70.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' SER . . . -59.85 175.06 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.427 1.08 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.631 ' CE2' ' CB ' ' A' ' 112' ' ' LEU . 33.3 m-85 -130.5 38.46 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 0.818 . . . . 0.0 110.954 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.95 -76.14 2.18 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.572 1.17 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -66.59 -178.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.1 t -157.73 164.91 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -108.17 -179.75 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -111.62 133.82 53.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ARG . 2.5 m170 -39.45 140.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.625 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -65.94 136.49 56.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.599 ' O ' ' CE2' ' A' ' 31' ' ' TYR . 56.7 mt -51.94 98.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.332 1.02 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.485 ' CG1' ' HD3' ' A' ' 32' ' ' PRO . 39.2 t -39.75 147.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 29' ' ' ILE . 1.1 m-85 -131.14 62.25 64.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' HD3' ' CG1' ' A' ' 30' ' ' VAL . 18.5 Cg_endo -75.01 153.73 41.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.86 140.81 26.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.594 1.839 . . . . 0.0 111.042 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -55.11 -63.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -123.6 121.59 35.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -176.91 -108.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 mt 59.45 80.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -166.37 39.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -144.51 100.51 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 m 56.89 -178.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.045 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.619 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -121.83 -40.83 2.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.49 87.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 1.179 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.73 161.58 4.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.29 173.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -142.48 138.29 30.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.581 1.175 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -54.25 136.77 42.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 1.066 . . . . 0.0 109.305 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -123.65 -67.03 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.571 1.169 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.12 157.95 7.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 109.342 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.14 164.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.392 1.058 . . . . 0.0 110.217 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.0 -79.05 0.13 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.03 114.77 0.42 Allowed Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -81.32 65.03 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 0.825 . . . . 0.0 109.364 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.94 -59.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.14 -61.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.3 t30 68.74 112.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 144.3 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.2 83.77 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.01 157.19 90.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -83.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.9 mtt 45.07 76.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -94.62 -65.24 1.0 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 87.3 m -149.2 172.29 15.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.1 mp -83.03 -55.89 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 61.16 134.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 66' ' ' LYS . 39.9 t -80.96 163.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.446 ' N ' ' CG1' ' A' ' 65' ' ' VAL . 1.1 tttp -113.04 -62.24 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -141.49 170.87 14.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.7 111.93 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -45.27 161.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.97 90.87 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 28.64 3.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.63 -161.34 19.08 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -62.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.424 ' N ' HD22 ' A' ' 14' ' ' LEU . . . -45.23 -53.58 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -44.4 -44.87 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.4 mm-40 -71.62 -53.84 12.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.59 -30.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.69 18.39 9.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.471 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.8 tp -71.26 176.16 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 0.807 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 -164.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 108.353 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 47.0 p -103.18 133.03 48.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.43 -23.62 31.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -56.99 126.91 29.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 0.734 . . . . 0.0 109.386 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -93.5 142.35 27.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mm -83.95 134.27 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . . . . . . . . . 28.0 pt -119.2 -39.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 mttt -134.94 161.21 35.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.6 t -150.75 126.16 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 49.99 56.76 7.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.57 26.79 0.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 131.76 55.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.87 108.16 5.0 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.588 1.18 . . . . 0.0 109.968 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.424 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 35.1 m -110.16 46.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.62 -55.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.77 8.25 70.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.561 1.163 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 47.0 mttm -84.51 155.8 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.431 ' CG2' ' HG3' ' A' ' 100' ' ' GLN . 14.5 t -99.72 157.63 16.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 67.8 t80 -51.79 -29.65 19.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.6 t -72.88 -15.65 61.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.431 ' HG3' ' CG2' ' A' ' 97' ' ' THR . 10.0 mt-30 -88.89 -59.92 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.424 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 21.3 m -51.08 -31.59 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mm -56.9 -54.52 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.71 -39.01 67.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.41 -44.24 92.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.0 mt -66.71 -31.65 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -81.73 -24.08 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.5 m-80 -97.94 19.51 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.423 ' O ' ' O ' ' A' ' 111' ' ' THR . 0.7 OUTLIER -63.15 -12.99 31.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.934 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' THR . 4.9 t0 61.26 -95.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 19.4 m -92.78 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 108' ' ' SER . 0.7 OUTLIER -108.83 170.0 8.32 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.631 ' CB ' ' CE2' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -136.36 108.68 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.425 ' N ' HD23 ' A' ' 112' ' ' LEU . 24.8 tt0 -90.5 146.3 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 12.7 mt -138.3 -172.16 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -167.92 135.65 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 3.6 m -133.44 -163.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.364 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.463 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 2.2 mmt -143.07 103.35 5.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.84 139.12 24.34 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.48 1.779 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 166.79 13.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.183 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -57.72 126.6 28.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 t -150.85 154.75 37.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.943 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 172.3 89.41 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.93 12.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.95 153.59 48.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.75 -54.37 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.636 1.21 . . . . 0.0 110.073 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.94 -59.01 1.62 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 0.784 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m 61.88 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.966 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.95 100.2 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -171.61 85.56 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 109.912 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.44 151.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.056 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.42 -158.15 0.27 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.34 -136.66 4.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.11 17.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.551 1.816 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' THR . 1.8 ttpt -86.41 138.83 31.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.432 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.6 m -128.5 139.3 52.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -142.4 133.77 25.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -102.08 149.08 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' N ' ' A' ' 112' ' ' LEU . 5.2 mp -140.26 125.61 18.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HG3' ' CG2' ' A' ' 111' ' ' THR . 0.0 OUTLIER -98.26 117.72 33.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.226 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -42.69 112.23 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.604 1.19 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 p -73.94 -39.53 63.71 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.633 1.208 . . . . 0.0 110.374 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.76 -75.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.059 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -116.41 101.63 8.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.079 . . . . 0.0 110.392 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.92 127.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.569 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 70.2 m-85 -56.0 171.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 111.065 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.31 -82.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.906 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 15.4 p90 -46.96 174.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 111.089 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 t -147.97 167.05 25.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.434 ' CD1' ' CG2' ' A' ' 63' ' ' ILE . 1.9 mm? -109.88 167.75 9.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.96 156.45 39.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.2 145.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.568 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -114.53 -49.86 2.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.593 ' O ' ' CE1' ' A' ' 31' ' ' TYR . 59.3 mt 40.23 85.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.0 p -83.69 144.58 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 29' ' ' ILE . 4.9 m-85 -121.88 77.79 40.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 149.06 35.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 162.5 37.12 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.538 1.81 . . . . 0.0 111.016 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -70.69 127.01 31.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 t 67.55 -66.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . 65.54 152.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 6.6 mt -93.43 -101.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.37 -60.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.3 t80 57.19 111.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -125.65 148.89 48.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.74 97.4 11.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -56.52 -169.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -146.07 -52.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.95 100.71 6.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -166.53 -60.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.409 1.068 . . . . 0.0 110.332 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -174.86 -57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.69 -99.69 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -176.74 152.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -172.49 135.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.4 170.45 13.42 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.457 1.098 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.93 111.73 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -167.85 166.57 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.383 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 57.65 164.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' ASN . 41.2 ttm180 63.66 145.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 54' ' ' ARG . 17.6 t30 61.07 147.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -61.74 -150.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.495 ' O ' ' CG ' ' A' ' 58' ' ' GLU . 2.7 mt -76.63 -153.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 23.1 mt-10 -162.22 159.63 21.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -161.23 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -146.14 -170.45 3.49 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -166.94 123.46 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.577 HG23 ' CE2' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -82.91 -4.86 58.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 110.421 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.434 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 2.2 mp 67.92 -68.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.577 ' CE2' HG23 ' A' ' 62' ' ' THR . 0.4 OUTLIER 58.0 158.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 83' ' ' ASP . 58.9 t -92.28 149.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -60.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.81 162.64 31.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 49.5 t -131.93 118.32 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.64 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.91 94.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.38 12.14 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.68 -154.09 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -64.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.407 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . . . -42.17 -56.48 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -44.36 -48.11 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -71.66 -53.16 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.53 -30.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.17 7.88 15.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.452 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -68.63 176.56 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.811 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 14.6 p -173.45 -155.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 108.259 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.5 p -103.48 132.49 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.21 -50.37 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 94.5 m-20 -50.46 135.5 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -113.68 145.21 41.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.5 mp -82.47 118.05 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.463 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 42.6 pt -105.01 -28.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.463 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 24.6 mttt -132.51 166.04 22.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 38.9 t -152.32 115.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 109.353 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 73.0 m-20 53.57 32.13 13.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.9 5.16 88.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.449 ' OE1' ' CD2' ' A' ' 104' ' ' LEU . 4.3 tt0 -95.34 117.05 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 0.813 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 p -64.14 129.3 39.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.426 ' O ' ' N ' ' A' ' 96' ' ' LYS . 2.4 m -81.78 -23.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' VAL . 2.9 mp -40.43 116.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.79 -45.17 2.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 21.9 mttp -57.96 145.79 34.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.4 t -89.97 155.13 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.422 ' O ' ' CG1' ' A' ' 102' ' ' ILE . 18.1 t80 -42.1 -42.63 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -45.08 93.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -56.34 -63.85 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.421 HG22 ' N ' ' A' ' 102' ' ' ILE . 32.7 m -50.71 -42.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.422 ' CG1' ' O ' ' A' ' 98' ' ' TYR . 2.3 mm -51.08 -49.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.4 94.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.449 ' CD2' ' OE1' ' A' ' 91' ' ' GLU . 63.5 mt -56.77 -20.52 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.432 HG21 ' CE2' ' A' ' 21' ' ' PHE . 40.5 mt -92.2 -49.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.55 -41.9 99.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -87.4 10.41 17.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 19.3 t -70.58 -8.57 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.6 t0 81.47 -158.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 m -54.68 -61.37 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.465 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -89.48 154.02 20.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.368 1.043 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.569 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -146.45 124.26 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.143 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.9 tt0 -104.83 136.92 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.336 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 9.9 mt -121.75 167.61 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.76 123.24 17.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.899 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.2 m -126.57 -175.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.461 ' CG ' HD11 ' A' ' 86' ' ' ILE . 1.1 mmt -131.39 107.94 14.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.638 1.211 . . . . 0.0 111.006 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 172.97 15.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.58 1.831 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -144.71 -67.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -88.05 94.61 9.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.0 m -46.24 135.54 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.933 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.58 -171.83 31.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.569 1.826 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.9 t -131.45 173.64 10.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 110.063 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 t -173.67 113.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.61 1.194 . . . . 0.0 111.034 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.83 136.84 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.17 110.15 20.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.938 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.01 145.43 17.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.14 162.94 35.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.971 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -125.39 -51.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.611 1.194 . . . . 0.0 109.966 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.91 93.65 0.54 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.6 -136.42 4.17 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.444 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo -74.99 174.72 12.3 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' THR . 2.2 ttpt -103.08 140.0 37.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 94.0 m -125.52 139.98 53.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 HG23 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -141.81 141.92 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.9 m -113.1 158.26 20.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.439 HD23 ' CE1' ' A' ' 23' ' ' PHE . 5.3 mp -143.09 137.97 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.461 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 5.2 mttt -121.97 113.98 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -41.56 114.64 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.1 t -103.93 18.39 22.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.382 1.051 . . . . 0.0 110.354 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER 160.74 -91.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.053 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -124.87 146.77 49.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.491 ' O ' ' CG ' ' A' ' 21' ' ' PHE . . . 46.2 -115.54 1.82 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.512 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 56.9 m-85 -164.08 144.56 8.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -39.25 -81.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.478 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 4.1 p90 -48.8 171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 t -158.3 156.09 30.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.416 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -109.94 161.58 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.94 142.12 34.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 172.64 -71.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.669 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 46.8 28.43 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -40.21 142.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.642 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 3.2 t -140.01 132.19 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 30' ' ' VAL . 72.0 m-85 -159.6 68.12 3.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HD3' ' CG1' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 172.23 16.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.426 1.75 . . . . 0.0 110.963 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -79.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 t -116.79 53.95 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.61 1.194 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.97 71.91 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.353 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mm -73.99 136.98 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.84 132.19 44.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.374 1.047 . . . . 0.0 110.236 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.69 -56.29 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 m -76.85 -167.51 0.86 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -120.87 172.84 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.074 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 61.81 94.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -45.16 -54.91 6.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 38.85 84.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.239 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.0 165.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.57 113.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.6 85.96 1.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -164.53 97.25 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 0.809 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 112.56 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.92 97.07 1.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -42.18 102.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.45 -59.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 0.737 . . . . 0.0 109.37 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -71.78 79.93 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.418 1.074 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -75.5 -49.13 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' ARG . 3.4 m120 61.34 123.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 59.15 -166.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 0.4 OUTLIER -105.17 -174.31 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.34 159.48 10.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.496 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.04 -88.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 50.17 79.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.06 -69.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 97.9 m -156.71 170.98 21.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.408 1.068 . . . . 0.0 110.382 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.466 HG23 ' CG1' ' A' ' 85' ' ' ILE . 1.2 mp -103.14 155.42 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 109.229 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.92 141.94 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.54 153.33 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.9 ttpt -110.46 -71.07 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.02 169.07 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -136.57 122.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -68.33 113.59 6.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.634 1.209 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.99 95.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.71 25.68 4.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.56 -157.41 18.8 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -60.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -49.93 -56.47 10.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -39.61 -44.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -67.33 -57.17 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.41 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.16 -31.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.88 6.08 28.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.7 tp -52.08 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.418 ' N ' ' OD2' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -161.36 -170.43 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.0 p -103.17 136.39 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.48 5.09 67.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 80' ' ' CYS . 18.4 m-20 -70.7 138.48 50.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 21.8 ttt180 -93.77 129.22 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.466 ' CG1' HG23 ' A' ' 63' ' ' ILE . 47.4 mm -82.75 131.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.405 HD11 ' CG ' ' A' ' 117' ' ' MET . 20.3 pt -115.88 -40.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -135.04 164.88 26.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.591 1.182 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 2.7 t -150.7 100.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.502 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 1.1 m-20 70.56 37.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 15.34 71.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.87 141.86 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 m -81.24 117.92 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.0 m -67.28 -31.81 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.4 mp -50.63 104.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.05 24.1 4.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.419 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 34.2 mttp -125.24 170.07 11.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 97' ' ' THR . 5.0 t -132.41 48.77 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.424 ' HB3' ' O ' ' A' ' 97' ' ' THR . 4.8 t80 66.3 -63.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.49 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -48.27 -26.03 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.916 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.419 ' NE2' ' HA ' ' A' ' 96' ' ' LYS . 40.2 mt-30 -77.98 -67.3 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.403 HG11 ' CD ' ' A' ' 96' ' ' LYS . 16.2 m -50.8 -36.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.13 -48.71 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -61.5 -38.31 86.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 83.8 mt -58.07 -29.83 65.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.8 mt -82.51 -46.74 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.55 -26.66 67.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ALA . 46.5 m-80 -107.83 24.14 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -86.99 -5.42 59.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 81.86 -157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -60.4 -40.61 91.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.147 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.461 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -101.2 155.07 18.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.512 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 1.1 tm? -147.65 118.98 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.453 ' N ' HD21 ' A' ' 112' ' ' LEU . 2.0 tm-20 -101.23 143.53 31.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.392 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.428 HD12 ' CE2' ' A' ' 23' ' ' PHE . 13.7 mt -128.78 -169.09 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.39 133.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 12.2 m -135.34 -163.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.444 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -143.85 110.24 5.18 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.93 39.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -106.52 157.49 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.24 -56.67 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.86 158.24 25.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 135.04 105.03 0.81 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.16 29.73 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m 66.5 142.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.3 t -101.49 -60.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.593 1.183 . . . . 0.0 111.004 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.39 160.46 15.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 0.798 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -131.6 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.83 -155.82 19.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.059 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.27 149.86 3.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 0.702 . . . . 0.0 110.047 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 59.72 167.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.046 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.35 -137.58 2.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.51 -77.96 0.59 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 163.2 35.85 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -89.67 147.15 24.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -135.39 134.41 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.382 1.051 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -139.34 143.86 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.5 m -117.78 146.35 43.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD23 ' CE2' ' A' ' 23' ' ' PHE . 6.1 mp -128.42 160.86 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.213 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.43 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 7.0 mttm -123.65 129.04 50.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' N ' ' CE2' ' A' ' 21' ' ' PHE . 3.8 ttt180 -47.09 110.34 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 t -156.07 138.45 14.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.465 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.67 80.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 42.31 91.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 21' ' ' PHE . . . 73.32 -97.13 0.84 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.48 ' CD1' ' C ' ' A' ' 20' ' ' GLY . 69.3 m-85 -157.06 -179.0 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 23' ' ' PHE . . . -82.02 -155.99 16.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.656 ' CD2' ' O ' ' A' ' 22' ' ' GLY . 12.2 p90 46.36 178.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 111.075 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.463 HG22 ' CG ' ' A' ' 66' ' ' LYS . 1.5 t -158.71 162.24 37.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 110.362 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -112.37 169.59 8.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.16 148.61 25.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.649 ' NE2' ' CD2' ' A' ' 98' ' ' TYR . 0.3 OUTLIER -175.32 106.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.65 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 29' ' ' ILE . 1.1 t80 -93.41 -38.36 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.527 HG22 ' CE2' ' A' ' 31' ' ' TYR . 23.9 mt -38.3 114.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' CG1' ' HD3' ' A' ' 32' ' ' PRO . 18.4 t -94.28 143.96 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.614 ' N ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -179.73 61.82 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 111.054 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HD3' ' CG1' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.93 156.44 43.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.579 1.831 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.37 147.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 t 54.3 22.96 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 110.059 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.89 171.53 14.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.5 mt 61.66 121.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -175.67 48.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -165.98 -178.49 4.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.08 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -168.82 168.37 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 118.63 21.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -110.15 128.96 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -169.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.408 1.068 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.03 97.59 6.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.62 ' N ' HD21 ' A' ' 46' ' ' ASN . 0.0 OUTLIER -169.43 152.4 4.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.84 139.27 3.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.42 1.075 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -174.56 117.12 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 0.711 . . . . 0.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -56.9 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.92 -162.89 35.21 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.418 1.074 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.42 170.67 32.87 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.97 166.18 12.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 0.742 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.37 168.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.3 -41.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 62.23 161.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.173 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.508 ' O ' ' CD2' ' A' ' 57' ' ' LEU . 40.1 ttp180 -152.92 66.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.508 ' CD2' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER 174.91 73.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -107.33 160.14 27.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.615 1.197 . . . . 0.0 110.342 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -73.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.028 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.66 -45.35 0.6 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.0 t0 43.43 66.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.443 HG21 ' CD ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -121.5 177.33 5.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.42 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.418 ' CD1' HG21 ' A' ' 101' ' ' VAL . 2.6 mp -128.99 89.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.237 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 46.5 m-85 -82.47 131.11 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.4 t -71.18 98.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.463 ' CG ' HG22 ' A' ' 24' ' ' THR . 3.8 tptt -44.35 -52.89 7.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.468 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 1.3 mt-30 -159.78 -177.73 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.436 ' CG1' ' HA ' ' A' ' 75' ' ' PHE . 49.2 t -137.79 111.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -46.13 126.73 7.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.379 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 88.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.96 24.44 4.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.96 -169.12 29.61 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.27 -48.92 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.436 ' HA ' ' CG1' ' A' ' 68' ' ' VAL . 5.5 t80 -50.74 -42.84 57.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.7 mm-40 -67.56 -53.02 31.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.98 -27.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.39 6.8 31.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -55.56 161.5 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.405 ' C ' ' OD2' ' A' ' 83' ' ' ASP . 0.5 OUTLIER -134.96 -172.12 2.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.146 . . . . 0.0 108.36 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.468 ' CG2' ' HA ' ' A' ' 67' ' ' GLN . 33.1 p -103.43 136.12 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.472 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.33 15.37 64.46 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.42 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.405 ' OD2' ' C ' ' A' ' 80' ' ' CYS . 49.9 m-20 -82.46 136.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 14.5 mtp180 -93.85 131.39 39.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.8 mm -82.91 137.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.401 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 31.9 pt -119.02 -40.59 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.499 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 5.2 mttt -129.38 158.87 37.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 87' ' ' LYS . 87.2 t -157.07 128.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 25.9 m120 50.26 27.23 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.82 40.74 73.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.1 -4.09 18.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t 59.0 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.058 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.494 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 11.6 m -93.65 14.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 4.4 mp -68.07 90.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.18 6.04 24.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.12 -172.95 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 t -123.64 158.73 30.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.649 ' CD2' ' NE2' ' A' ' 27' ' ' HIS . 8.3 t80 -44.84 -55.52 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -46.0 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -68.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.494 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 13.4 m -46.81 -34.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 mm -61.05 -60.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -47.91 -42.05 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.417 ' O ' ' OG ' ' A' ' 108' ' ' SER . 12.4 mt -60.76 -38.04 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -76.32 -19.79 57.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 103' ' ' ALA . 65.2 m-20 -105.52 20.54 18.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.39 1.056 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 105' ' ' ILE . 20.4 m -62.07 -13.78 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 110' ' ' THR . 11.8 t0 60.05 -96.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 91.2 m -92.66 -63.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.43 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -114.07 161.27 17.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.479 ' CD1' HD11 ' A' ' 114' ' ' LEU . 1.2 tm? -122.22 108.92 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.457 ' N ' HD22 ' A' ' 112' ' ' LEU . 36.7 tt0 -89.27 131.98 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 112' ' ' LEU . 29.1 mt -124.48 179.08 5.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -166.79 130.95 2.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.1 m -129.9 -173.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -131.26 97.55 19.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 149.19 36.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.066 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.57 163.25 17.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.6 108.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.18 139.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 176.79 -73.89 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 165.17 31.89 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.59 81.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.3 t -143.99 160.55 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.101 0 O-C-N 124.462 1.101 . . . . 0.0 110.928 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 44.06 88.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.996 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t -127.18 143.85 51.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.14 -154.87 7.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 42.89 87.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -149.96 -51.82 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.58 -71.98 0.29 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.47 78.32 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.428 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.2 Cg_endo -75.03 156.85 42.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -95.37 139.35 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.392 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -124.91 143.67 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -144.96 123.9 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.5 m -95.5 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 HD11 ' CD1' ' A' ' 114' ' ' LEU . 5.6 mp -141.09 156.95 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.447 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 6.7 mttm -130.49 117.02 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -46.02 113.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -142.98 119.47 10.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.481 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.1 m 65.07 178.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -43.91 115.57 0.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 49.46 -177.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.591 1.182 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 49.3 m-85 -76.09 -174.3 2.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 0.802 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.49 -84.91 0.54 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.564 ' CZ ' HD13 ' A' ' 114' ' ' LEU . 4.6 p90 -46.36 169.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.1 t -156.38 156.19 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -109.15 169.35 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.06 175.98 13.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 65.97 114.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.605 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -155.77 158.55 38.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.92 -53.64 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.6 t 54.28 171.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.435 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 12.4 m-85 -136.65 61.85 38.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.435 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -75.0 165.4 31.4 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.3 3.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.555 1.818 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.34 -60.26 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 t -119.47 -60.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.633 1.208 . . . . 0.0 109.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.24 93.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.229 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mp -72.35 71.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.198 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.84 86.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -74.03 -62.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER 50.88 99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.007 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -171.19 124.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 110.976 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.73 149.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 60.08 110.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.531 ' O ' ' C ' ' A' ' 45' ' ' GLU . 7.9 mp0 -71.24 150.9 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER 27.21 82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 53.7 t-20 -170.1 150.63 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . 98.67 -169.74 23.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.336 1.023 . . . . 0.0 111.05 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -160.96 97.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -149.85 168.9 22.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 172.08 -158.13 28.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.607 1.192 . . . . 0.0 111.044 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.8 -156.54 27.46 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 157.53 41.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.588 0.816 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -167.99 167.66 12.54 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.609 1.193 . . . . 0.0 110.264 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -86.02 94.4 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -138.53 106.84 5.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.501 ' O ' ' CD1' ' A' ' 57' ' ' LEU . 10.9 ttt180 -137.52 64.92 1.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.434 1.083 . . . . 0.0 110.243 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.501 ' CD1' ' O ' ' A' ' 56' ' ' ARG . 1.2 tp 174.81 96.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -125.91 160.36 57.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 -81.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.779 . . . . 0.0 111.059 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 42.9 mtp 58.88 166.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 111.012 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.426 ' O ' ' HB ' ' A' ' 62' ' ' THR . 46.3 m-20 -148.79 32.03 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.426 ' HB ' ' O ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER 72.21 -0.99 3.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.522 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 98' ' ' TYR . 2.5 mp 57.74 100.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -109.48 157.3 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 78.6 t -79.51 149.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -112.64 -64.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.211 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -135.91 162.79 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.337 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -132.31 120.96 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -55.12 116.78 2.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.417 1.073 . . . . 0.0 109.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.69 92.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.65 33.74 2.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.62 -154.91 9.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -67.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -41.46 -50.71 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.02 -45.98 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -69.71 -53.27 19.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.5 -29.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.619 1.199 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.36 3.91 29.03 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.599 1.187 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.462 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.9 tp -54.89 -177.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.624 0.838 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -172.48 -164.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 p -103.9 133.3 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.12 -32.98 6.12 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 -60.9 153.14 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.5 ptt180 -124.8 143.83 50.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.473 HG22 ' CG2' ' A' ' 88' ' ' VAL . 1.1 mp -82.09 119.35 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.465 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 49.9 pt -98.0 -35.59 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.465 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 1.2 mttt -133.24 161.31 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.473 ' CG2' HG22 ' A' ' 85' ' ' ILE . 37.9 t -153.83 102.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 91' ' ' GLU . 16.0 m-20 68.06 71.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.32 25.27 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' N ' ' C ' ' A' ' 89' ' ' ASN . 1.1 mm-40 -120.28 128.24 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 1.9 m -91.31 30.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.428 HG13 ' CG1' ' A' ' 101' ' ' VAL . 10.3 m 40.63 32.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 92' ' ' SER . 44.1 mm -57.89 99.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.81 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.404 ' NZ ' ' CD2' ' A' ' 104' ' ' LEU . 26.2 mttt -40.85 124.15 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.4 t -76.18 171.9 13.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.441 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 63' ' ' ILE . 1.7 t80 -52.81 -33.04 47.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.583 1.177 . . . . 0.0 111.075 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 0.0 110.023 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -66.35 -51.0 61.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 0.0 110.349 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 93' ' ' VAL . 15.0 m -58.08 -33.79 47.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.7 mm -63.35 -50.13 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.04 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.404 ' CD2' ' NZ ' ' A' ' 96' ' ' LYS . 88.0 mt -55.8 -31.42 62.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.504 HG21 ' CE2' ' A' ' 21' ' ' PHE . 30.1 mt -80.7 -50.64 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.219 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.46 -38.15 80.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -97.42 23.85 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 37.6 t -81.01 -7.34 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.6 t0 81.77 -156.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.2 m -57.01 -60.66 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.447 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -90.34 159.84 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.36 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -153.6 127.17 8.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -110.38 140.74 44.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.429 1.081 . . . . 0.0 110.316 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.564 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 12.6 mt -122.32 -176.9 3.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.27 131.34 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.411 ' CG1' HD11 ' A' ' 85' ' ' ILE . 22.8 m -131.14 -172.45 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.428 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 2.5 mmt -139.92 87.95 12.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.85 42.7 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -124.86 156.04 38.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.217 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -72.96 97.95 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.32 132.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.31 96.93 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.416 1.073 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.82 13.64 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.455 1.766 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.67 166.22 11.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.051 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.0 t -94.0 101.81 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.024 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 O-C-N 124.49 1.119 . . . . 0.0 110.908 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.94 101.23 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 110.037 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -97.33 168.79 10.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.62 159.39 24.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.29 179.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 0.805 . . . . 0.0 110.046 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.15 163.33 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.939 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.34 61.94 0.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.65 -104.35 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.47 9.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.417 1.746 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -88.46 147.77 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 m -130.41 138.85 50.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.74 129.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 95.3 m -105.3 151.07 24.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.427 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.5 mp -135.8 152.54 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.206 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 22.1 mttt -127.26 118.0 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -48.67 113.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 p -98.42 54.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.98 40.11 28.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 110.041 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -176.89 -172.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 50.03 4.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.577 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 55.3 m-85 55.06 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.785 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -85.62 -71.7 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.475 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 5.1 p90 -46.99 169.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -148.89 157.12 43.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.83 160.0 16.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.375 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 -173.29 168.78 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 60.85 152.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.561 ' CE2' ' HB ' ' A' ' 30' ' ' VAL . 9.7 t80 -167.85 140.44 3.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.521 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 36.3 mt -68.9 -88.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.602 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 6.4 p 51.4 175.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.602 ' CD1' ' O ' ' A' ' 30' ' ' VAL . 55.6 m-85 -157.73 93.87 2.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.53 31.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 -65.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.76 -83.08 0.16 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.1 t -126.03 34.39 4.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.73 -93.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.3 mt 63.96 77.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.374 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -108.08 -26.12 10.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 51.65 174.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.094 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.42 156.37 0.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.596 1.185 . . . . 0.0 110.026 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -164.16 121.07 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.17 135.86 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.97 108.87 21.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.39 166.81 23.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.14 135.07 17.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -62.15 133.12 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.25 -155.73 28.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -115.78 133.87 55.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.07 167.36 30.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.351 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.48 -172.87 14.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.98 108.25 1.35 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -67.59 0.41 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -128.88 80.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 174.5 -50.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.49 84.59 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.443 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -44.08 148.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.427 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.0 OUTLIER 65.37 75.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 58.1 157.09 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.253 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.443 ' C ' ' CG ' ' A' ' 60' ' ' MET . 18.6 Cg_endo -74.99 -61.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.455 1.766 . . . . 0.0 111.065 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.443 ' CG ' ' C ' ' A' ' 59' ' ' PRO . 1.9 ptt? 36.03 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 t0 165.08 80.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.69 ' CG2' ' CE2' ' A' ' 64' ' ' PHE . 53.9 m -157.85 -95.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.446 ' CD1' HG22 ' A' ' 101' ' ' VAL . 2.4 mp 66.59 116.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.69 ' CE2' ' CG2' ' A' ' 62' ' ' THR . 88.2 m-85 -112.93 166.26 11.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.2 t -95.31 116.42 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -54.5 7.56 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -148.79 171.2 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.09 110.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -44.03 127.44 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.38 90.53 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.98 40.0 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.34 -156.6 9.6 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -49.5 -60.81 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -38.75 -34.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -78.23 -60.42 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.22 -32.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.27 4.38 14.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.465 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.6 tp -55.21 145.49 21.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -131.1 -167.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 108.3 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 133.19 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.6 -23.75 23.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.82 160.86 13.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -133.43 141.72 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.461 ' N ' ' CD1' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -81.75 120.23 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.447 HD11 ' CE ' ' A' ' 87' ' ' LYS . 25.7 pt -102.09 -28.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' CE ' HD11 ' A' ' 86' ' ' ILE . 11.2 mttt -135.41 158.55 44.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.7 t -143.82 105.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.452 ' ND2' ' OG ' ' A' ' 108' ' ' SER . 55.3 m-20 57.08 31.23 19.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.48 28.7 51.73 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.58 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 0.697 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m 58.59 101.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 101' ' ' VAL . 24.5 m -99.21 50.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.4 mm -81.48 -61.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.05 40.51 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.643 1.214 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -123.62 161.56 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.432 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 1.2 t -110.51 173.87 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.432 ' N ' ' OG1' ' A' ' 97' ' ' THR . 29.0 t80 -50.02 -55.41 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -48.34 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -53.14 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.468 HG13 ' CG1' ' A' ' 93' ' ' VAL . 35.8 m -51.2 -37.52 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.8 mm -57.04 -60.31 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.79 -36.27 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 108' ' ' SER . 48.3 mt -59.15 -37.62 77.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.393 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.55 -42.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.97 -25.84 63.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ALA . 30.7 m-80 -117.09 23.51 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.207 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.518 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER -77.38 0.07 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 108' ' ' SER . 11.5 t70 82.98 178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 14.6 m -37.18 -49.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -99.45 172.48 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.577 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -158.6 108.3 2.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -89.39 139.36 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.422 ' CG ' HD12 ' A' ' 112' ' ' LEU . 14.5 mt -128.94 177.78 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 m -153.02 125.22 8.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 110.002 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 24.4 m -122.61 179.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.309 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -132.71 94.83 20.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.964 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 -178.97 4.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 40.7 tttt -150.68 -74.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -131.3 99.75 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.53 155.64 46.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 110.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -141.31 114.81 0.95 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.33 40.57 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.3 t -178.09 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.81 104.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.531 1.144 . . . . 0.0 110.944 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.61 170.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 110.036 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.97 140.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.85 -122.4 0.95 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m 63.26 161.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 0.759 . . . . 0.0 109.957 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 61.12 153.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.7 115.29 1.48 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.7 -96.66 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 170.91 19.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 11' ' ' THR . 13.8 tptt -93.13 149.14 21.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.401 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.8 m -135.14 136.27 41.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.467 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.24 124.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 86.1 m -103.75 154.14 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.361 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.412 HD23 ' CB ' ' A' ' 74' ' ' ALA . 4.4 mp -135.95 170.61 15.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 25.1 mttt -138.47 117.44 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.27 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -43.73 111.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.189 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -126.96 -45.71 1.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.6 176.92 7.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.989 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.71 134.12 53.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.13 26.8 50.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.424 1.077 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.445 ' CZ ' ' CB ' ' A' ' 112' ' ' LEU . 21.1 m-85 52.48 173.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -55.22 -78.65 0.11 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -53.61 177.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 7.6 t -157.77 155.64 30.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.28 169.75 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -147.34 117.88 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.28 63.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.651 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 2.9 t80 -96.54 -4.56 41.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.409 1.068 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.518 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 51.2 mt -45.4 -79.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.573 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 6.3 p 50.84 177.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.573 ' CD1' ' O ' ' A' ' 30' ' ' VAL . 61.2 m-85 -157.81 82.38 2.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 165.0 32.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.043 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -165.77 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.558 1.82 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -78.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -117.22 -56.57 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.37 1.044 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.22 167.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.94 129.76 69.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.47 157.17 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -157.08 -54.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -54.33 153.77 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -173.92 -53.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 167.39 18.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 109.267 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -106.31 108.81 20.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.198 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -112.69 147.87 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.37 93.59 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -153.74 161.73 41.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.99 82.25 0.64 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -95.2 -55.61 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.98 147.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.17 170.93 53.02 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.454 1.096 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.76 -150.87 16.24 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.44 -47.85 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 54.66 170.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -114.22 -64.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.396 1.06 . . . . 0.0 110.367 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 66.03 121.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.88 -160.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -80.61 75.46 7.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -47.3 159.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.05 -75.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -113.17 -70.92 0.78 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 62' ' ' THR . 2.7 t70 64.12 96.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER 165.21 -27.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.454 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.477 ' CG2' ' HB ' ' A' ' 85' ' ' ILE . 1.1 mt 66.8 116.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.495 ' CZ ' HG22 ' A' ' 62' ' ' THR . 83.8 m-85 -124.66 146.77 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 97.8 t -71.88 133.54 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -60.92 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.19 166.3 23.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.385 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.32 115.02 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.13 148.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -92.46 82.21 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.57 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 104.48 28.34 5.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.064 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.26 -155.61 29.53 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' GLU . 18.8 Cg_endo -74.96 -68.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.556 1.819 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' CB ' HD23 ' A' ' 14' ' ' LEU . . . -46.56 -42.19 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.57 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 69.3 t80 -54.73 -31.66 58.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -84.07 -52.71 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.1 -30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.74 6.12 17.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.467 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.7 tp -58.25 -177.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -175.46 -165.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.1 p -103.93 133.68 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.89 -11.25 41.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -81.25 137.23 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -104.25 144.92 30.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.384 1.053 . . . . 0.0 110.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.477 ' HB ' ' CG2' ' A' ' 63' ' ' ILE . 27.1 mm -84.94 134.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.459 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 36.2 pt -116.55 -38.63 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.459 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 3.0 mttt -133.92 161.27 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.414 HG21 ' CD2' ' A' ' 114' ' ' LEU . 41.6 t -153.4 124.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.16 36.2 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.29 12.99 52.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.439 ' OE1' ' CD2' ' A' ' 104' ' ' LEU . 0.0 OUTLIER -94.59 124.51 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.83 108.91 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.466 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 27.5 m -112.15 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 5.2 mp -64.04 -32.41 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 0.0 109.278 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.82 27.04 6.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 54.3 mttp -104.77 177.19 4.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 0.737 . . . . 0.0 109.321 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.0 t -112.18 -172.34 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -72.42 -57.37 4.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.6 t -51.65 -22.22 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 1.183 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -77.55 -70.73 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.466 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 24.2 m -49.23 -27.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.43 -52.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.47 -33.83 64.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.439 ' CD2' ' OE1' ' A' ' 91' ' ' GLU . 55.2 mt -63.62 -41.69 98.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.419 ' O ' ' OG ' ' A' ' 108' ' ' SER . 6.0 mt -71.81 -23.71 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -91.33 -19.17 23.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.8 m-20 -105.77 20.16 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 111' ' ' THR . 0.7 OUTLIER -73.05 -5.74 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 110' ' ' THR . 14.1 t0 62.46 -100.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 17.0 m -92.97 -63.77 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.492 ' O ' ' CB ' ' A' ' 108' ' ' SER . 0.8 OUTLIER -98.83 176.08 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.445 ' CB ' ' CZ ' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -149.91 106.24 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.046 . . . . 0.0 109.318 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 22.9 tt0 -82.39 140.71 33.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.414 ' CD2' HG21 ' A' ' 88' ' ' VAL . 69.8 mt -130.53 -178.92 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m -164.13 131.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 23.3 m -129.61 -170.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.428 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 2.1 mmt -136.79 95.47 12.35 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 158.91 41.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.382 1.727 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.34 179.85 4.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -52.21 60.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t 61.38 155.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.18 111.14 3.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 126.43 9.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.443 1.759 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.1 p -168.28 99.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.038 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.29 -60.27 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.96 107.85 17.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.946 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -64.82 -60.06 3.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.76 -77.63 0.31 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -60.27 3.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 110.084 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.51 111.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.57 132.89 2.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.54 -139.46 8.85 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.7 39.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.436 1.756 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -88.35 147.2 24.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -133.86 138.25 45.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.461 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -140.04 134.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.3 m -108.49 149.86 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.404 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 5.2 mp -137.75 143.44 41.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -117.9 115.38 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -44.14 111.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 p -77.16 -69.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.97 -81.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.363 1.039 . . . . 0.0 110.013 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.08 114.96 11.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.38 104.0 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.502 ' CZ ' ' CB ' ' A' ' 112' ' ' LEU . 78.4 m-85 -43.37 150.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.78 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.17 -84.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.182 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.569 ' CZ ' HD12 ' A' ' 114' ' ' LEU . 7.0 p90 -49.22 174.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.465 HG22 ' CG ' ' A' ' 66' ' ' LYS . 2.7 t -157.91 164.92 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -110.35 177.27 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -149.37 162.74 39.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 110.263 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 17.1 m-70 80.61 91.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.564 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.413 ' O ' ' CD1' ' A' ' 29' ' ' ILE . 18.3 p90 -78.24 139.99 38.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.413 ' CD1' ' O ' ' A' ' 28' ' ' PHE . 2.0 mm -136.31 123.23 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.527 ' C ' ' CD2' ' A' ' 31' ' ' TYR . 4.2 t -102.46 -127.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.066 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.579 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 0.1 OUTLIER 51.17 54.84 15.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.579 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.07 161.79 38.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -166.6 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -66.53 -171.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' GLU . 6.1 t -39.3 -42.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 42.3 -101.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.384 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.4 mt -40.15 158.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 109.331 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -158.97 149.89 20.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CG ' ' O ' ' A' ' 39' ' ' PHE . 8.6 p90 -45.2 125.37 5.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.19 142.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -126.22 -56.36 1.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 133.88 55.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -119.57 -55.13 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.412 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 57.03 163.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.9 155.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.54 159.88 32.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.222 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.23 140.46 3.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 177.64 116.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.21 159.95 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.13 168.97 28.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.55 140.72 5.14 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.06 167.4 4.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.379 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.75 155.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.52 149.75 45.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.18 -42.84 83.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.355 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 61.69 129.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.363 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 70.77 81.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -97.37 157.38 34.93 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' CG ' ' CE2' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -75.17 0.66 8.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' PRO . 8.2 mtm -35.73 143.17 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.531 1.144 . . . . 0.0 110.943 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -153.44 40.02 0.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.449 HG22 ' CG ' ' A' ' 84' ' ' ARG . 1.8 m 70.9 159.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.416 ' O ' ' O ' ' A' ' 64' ' ' PHE . 1.1 mp -82.78 -55.15 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 3.0 m-85 58.98 123.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 54.8 t -63.66 139.32 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.465 ' CG ' HG22 ' A' ' 24' ' ' THR . 0.5 OUTLIER -86.78 -63.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -146.93 170.7 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.7 t -131.54 123.73 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -70.35 113.15 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 93.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.69 32.71 2.83 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -116.42 -158.44 11.38 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.97 -47.66 4.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.2 mm-40 -66.07 -54.87 20.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.98 -30.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.347 1.029 . . . . 0.0 109.326 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 105.95 18.65 11.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.5 tp -67.4 166.49 14.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -145.96 -170.5 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 108.302 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 135.61 45.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.398 1.061 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.09 4.26 64.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.73 137.05 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -94.84 132.48 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 33.2 mm -82.97 122.89 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.477 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 26.8 pt -109.51 -47.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 1.7 mttt -132.44 167.05 20.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 89' ' ' ASN . 46.9 t -114.25 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.454 ' N ' HG11 ' A' ' 88' ' ' VAL . 3.2 p30 -104.61 58.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.391 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.95 38.2 49.0 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.405 1.065 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.42 -35.02 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.12 128.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 1.3 m -100.52 30.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.85 94.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.8 -29.58 12.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.622 ' HZ2' ' NE2' ' A' ' 100' ' ' GLN . 17.7 mttm -61.51 150.02 37.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 3.0 t -108.06 177.47 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.429 ' N ' ' OG1' ' A' ' 97' ' ' THR . 46.2 t80 -46.79 -65.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -48.41 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.942 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.622 ' NE2' ' HZ2' ' A' ' 96' ' ' LYS . 7.2 mt-30 -57.27 -71.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.405 HG23 ' N ' ' A' ' 102' ' ' ILE . 34.4 m -46.56 -44.48 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.429 HD12 ' CZ ' ' A' ' 98' ' ' TYR . 11.1 mm -44.53 -51.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.58 92.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 90.6 mt -53.53 -24.63 13.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.402 ' O ' ' OG ' ' A' ' 108' ' ' SER . 28.4 mt -86.73 -48.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -59.92 -33.31 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.98 12.87 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 94.5 p -59.35 -22.61 61.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.0 t70 81.41 -151.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 m -55.22 -49.69 71.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.473 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.06 173.99 6.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.502 ' CB ' ' CZ ' ' A' ' 21' ' ' PHE . 0.8 OUTLIER -159.22 112.52 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.448 ' N ' HD22 ' A' ' 112' ' ' LEU . 54.9 tt0 -97.8 150.61 21.07 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.569 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 13.5 mt -138.22 174.72 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.7 131.84 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 1.038 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 15.7 m -129.42 -170.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.35 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -135.8 96.53 13.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.78 13.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.577 1.83 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.24 -178.46 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.75 -56.66 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 72.1 m 60.89 106.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -49.79 139.48 17.6 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 67.18 5.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.613 1.849 . . . . 0.0 111.072 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.9 p -145.78 95.45 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.01 120.31 6.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m 58.04 107.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.052 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -168.51 143.22 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.73 176.8 14.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.609 1.193 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -160.2 100.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.2 88.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.97 146.48 4.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.609 1.193 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.33 -121.69 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 153.85 42.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.67 142.03 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -128.6 138.15 52.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.486 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.18 128.73 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -98.95 152.56 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' ' N ' ' A' ' 112' ' ' LEU . 4.9 mp -140.2 121.13 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.541 ' CD ' ' N ' ' A' ' 15' ' ' LYS . 4.7 mptt -100.13 115.5 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -41.35 110.34 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.334 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -141.6 13.3 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.367 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.39 -152.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.074 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -91.65 133.87 35.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 46.55 42.29 13.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.484 ' CZ ' ' CB ' ' A' ' 112' ' ' LEU . 76.5 m-85 38.27 40.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.486 0.756 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.05 -84.08 1.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.435 1.085 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.14 176.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -158.18 168.36 27.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -119.51 166.15 13.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -173.34 173.51 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 72.9 92.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.556 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CE2' ' CE2' ' A' ' 98' ' ' TYR . 26.0 p90 -166.78 140.44 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.41 ' HB ' ' CG ' ' A' ' 59' ' ' PRO . 77.3 mt -102.66 -43.63 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.404 ' O ' ' O ' ' A' ' 29' ' ' ILE . 16.7 t 54.45 170.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.617 1.198 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.447 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 7.1 m-85 -135.49 61.64 44.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.447 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -74.94 167.15 27.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.585 1.834 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.71 34.46 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.611 1.848 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -83.65 149.77 26.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.338 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t 49.07 33.7 5.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.5 105.73 10.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.592 1.183 . . . . 0.0 109.231 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.5 mt -58.68 148.42 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.02 143.05 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.06 139.28 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.7 178.93 9.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.57 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -85.22 44.46 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 128.89 40.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.387 1.054 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.42 159.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.86 108.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.55 156.99 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -99.12 162.3 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 175.72 103.63 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -158.15 -176.14 5.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 0.769 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 59.07 -87.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.34 -128.69 16.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.55 111.85 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.84 93.24 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 0.794 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.64 -176.55 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.82 176.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.54 163.19 19.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -163.68 68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -102.37 19.61 18.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 22.8 mt-10 64.6 160.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.273 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.41 ' CG ' ' HB ' ' A' ' 29' ' ' ILE . 18.3 Cg_endo -75.03 -90.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.418 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 25.4 ptm -159.33 175.69 13.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 60' ' ' MET . 0.8 OUTLIER 76.03 154.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.476 ' HB ' ' CE1' ' A' ' 64' ' ' PHE . 19.8 m -131.18 166.58 20.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.6 mp -60.12 84.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.5 m-30 -101.19 137.41 39.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' CG2' ' OD2' ' A' ' 83' ' ' ASP . 5.4 t -56.35 147.74 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -113.67 -35.53 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 12.0 mt-30 -163.53 164.98 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.62 1.2 . . . . 0.0 110.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.88 123.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -64.62 121.62 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.38 94.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.37 25.9 4.49 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.485 1.116 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.25 -166.41 22.96 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.426 1.751 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.427 ' HB1' ' CD2' ' A' ' 79' ' ' LEU . . . -50.15 -46.37 53.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.79 -45.88 70.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -72.54 -49.41 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.232 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.29 -25.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.42 6.85 26.93 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.486 ' CD1' HG22 ' A' ' 12' ' ' VAL . 2.5 tp -68.06 147.76 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 18.6 p -142.91 -159.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 108.262 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.4 p -103.72 130.38 51.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.03 -30.08 7.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.417 ' OD2' ' CG2' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -59.38 128.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 0.79 . . . . 0.0 109.347 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 ptt-85 -94.49 152.87 18.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 19.1 mm -91.52 127.05 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.493 ' C ' ' CD ' ' A' ' 87' ' ' LYS . 2.7 pt -114.38 -37.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.493 ' CD ' ' C ' ' A' ' 86' ' ' ILE . 0.2 OUTLIER -144.47 165.96 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.221 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.45 HG13 ' N ' ' A' ' 89' ' ' ASN . 23.3 t -124.26 -122.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.45 ' N ' HG13 ' A' ' 88' ' ' VAL . 73.4 m-20 -80.96 71.74 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.22 26.41 67.68 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -104.91 -176.88 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 110.3 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.7 m -134.91 107.73 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.475 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 10.8 m -110.47 47.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.9 mt -64.79 -61.0 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.382 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.45 20.37 23.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.5 mttm -74.68 162.7 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.339 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 t -99.98 161.43 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.531 ' CE2' ' CE2' ' A' ' 28' ' ' PHE . 33.7 t80 -50.88 -52.49 41.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 t -49.39 -43.82 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.066 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -59.74 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.475 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 18.2 m -48.11 -42.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.38 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.3 mm -51.22 -52.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.87 93.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.213 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 56.6 mt -52.04 -24.69 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.223 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.5 mt -89.26 -49.21 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.53 -32.99 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.25 16.24 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 109.355 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 95.1 p -63.92 -22.33 66.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.2 t0 81.11 -154.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.1 m -53.65 -51.76 62.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.411 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -102.28 159.71 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.484 ' CB ' ' CZ ' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -144.22 111.59 5.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.433 ' N ' HD22 ' A' ' 112' ' ' LEU . 14.6 tt0 -95.21 148.85 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 23.4 mt -138.39 168.89 18.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -147.56 130.21 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 13.6 m -127.14 -178.4 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 57.5 mmm -128.64 102.87 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 158.06 42.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.13 174.62 10.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 t70 71.06 -62.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.59 79.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 59.93 169.49 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 80.32 2.46 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.9 m -166.16 167.12 16.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.064 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 126' ' ' GLY . 10.9 t 173.96 -53.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.951 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 125' ' ' SER . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -58.77 6.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.031 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.12 86.11 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.24 -75.28 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.55 -58.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.943 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -132.16 127.06 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.15 -107.65 0.5 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.52 -172.93 44.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.12 31.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.519 ' HD3' ' CG2' ' A' ' 116' ' ' VAL . 0.3 OUTLIER -113.33 123.11 49.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 m -117.47 155.45 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.7 m -141.66 142.53 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.326 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -117.22 144.73 44.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.558 ' HB3' ' CD1' ' A' ' 21' ' ' PHE . 5.7 mp -127.68 142.94 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 15.1 mmtt -105.92 114.82 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -40.98 112.41 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -112.34 79.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.434 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 17' ' ' THR . 3.7 m 77.97 -67.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 110.074 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -145.89 150.52 36.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 21' ' ' PHE . . . 38.17 -124.32 1.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.558 ' CD1' ' HB3' ' A' ' 14' ' ' LEU . 94.8 m-85 -164.26 -171.62 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -90.48 57.05 3.49 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.415 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 8.8 p90 -179.02 164.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.425 ' O ' ' N ' ' A' ' 66' ' ' LYS . 12.4 t -154.82 161.23 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.18 175.51 5.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 139.85 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -176.48 82.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.553 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.615 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -110.11 -24.83 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.523 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 64.8 mt -37.29 -56.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.536 ' C ' ' CG ' ' A' ' 31' ' ' TYR . 6.3 p 50.93 177.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.536 ' CG ' ' C ' ' A' ' 30' ' ' VAL . 0.2 OUTLIER 176.35 75.01 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 154.38 42.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.558 1.82 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -78.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.798 . . . . 0.0 111.05 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -131.4 -72.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.7 t -135.66 37.08 2.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.614 1.196 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -51.53 -43.93 62.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.431 ' CG2' ' N ' ' A' ' 38' ' ' GLN . 65.8 mt 52.91 -108.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.431 ' N ' ' CG2' ' A' ' 37' ' ' ILE . 0.5 OUTLIER 69.49 109.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -112.37 92.33 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.25 86.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -80.3 162.12 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.55 138.23 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 19.8 p-10 -178.49 93.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.607 1.192 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 43' ' ' ASP . 1.7 mp0 -142.39 124.85 15.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 40.66 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -138.74 154.32 48.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.54 -103.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.621 1.2 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -146.21 122.87 11.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.55 172.79 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.48 166.58 26.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.48 -162.19 10.44 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.72 125.9 26.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -176.6 131.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -143.25 124.89 14.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.9 -67.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -80.88 142.71 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.52 -172.0 2.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -128.77 160.11 64.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -72.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.811 . . . . 0.0 111.026 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.9 mtm -153.24 138.09 17.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 111.055 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.14 85.98 2.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.679 ' CG2' ' CE2' ' A' ' 64' ' ' PHE . 3.4 m -143.61 158.44 43.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.486 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.401 HG21 ' CG1' ' A' ' 85' ' ' ILE . 7.8 mm -96.33 -65.39 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.679 ' CE2' ' CG2' ' A' ' 62' ' ' THR . 21.2 m-85 54.69 107.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.473 ' CG1' ' O ' ' A' ' 80' ' ' CYS . 87.2 t -51.87 156.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 24' ' ' THR . 4.0 tptm -112.94 -56.43 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.452 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 1.0 OUTLIER -136.28 170.08 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 8.3 t -153.83 117.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.423 ' HD3' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -56.35 123.37 14.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.423 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -71.2 83.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.568 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 122.87 4.44 8.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -81.32 -163.05 30.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -53.24 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.415 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -53.13 -53.89 43.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.568 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 3.0 t80 -48.13 -53.58 16.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 4.2 mm-40 -59.5 -52.98 63.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -42.1 -28.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.13 22.85 6.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.1 tp -82.58 -170.67 3.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 0.747 . . . . 0.0 109.374 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.473 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER 178.15 -165.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 108.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.452 ' CG2' ' HA ' ' A' ' 67' ' ' GLN . 4.7 p -103.16 130.68 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.19 -32.15 7.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.04 131.21 31.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.332 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.401 ' HG3' ' CG2' ' A' ' 62' ' ' THR . 3.8 ttt180 -93.77 133.91 36.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.226 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.401 ' CG1' HG21 ' A' ' 63' ' ' ILE . 18.8 mm -82.62 137.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.451 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 50.4 pt -114.02 -34.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.451 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.35 162.96 31.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.8 118.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 45.2 m-20 46.33 55.91 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.41 21.94 6.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.449 ' CB ' HD11 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -123.16 82.27 1.98 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 110.289 180.0 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 p -40.17 131.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.467 ' CG1' HG12 ' A' ' 101' ' ' VAL . 2.8 m -64.42 -31.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 mp -46.3 111.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.59 14.72 26.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -122.01 163.93 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.565 ' O ' ' N ' ' A' ' 99' ' ' SER . 7.0 t -113.45 51.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.46 ' HB3' ' O ' ' A' ' 97' ' ' THR . 35.7 t80 58.01 -75.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -37.94 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.019 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -64.68 -63.14 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.467 HG12 ' CG1' ' A' ' 93' ' ' VAL . 35.3 m -55.69 -31.84 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.407 ' N ' HG21 ' A' ' 101' ' ' VAL . 13.9 mm -54.53 -46.19 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -60.6 -39.21 87.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.449 HD11 ' CB ' ' A' ' 91' ' ' GLU . 80.4 mt -59.14 -36.55 75.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.7 mt -73.04 -36.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.38 -31.47 60.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 103' ' ' ALA . 37.2 m-20 -93.43 21.25 6.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 77.9 p -52.31 -20.22 2.58 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.373 1.046 . . . . 0.0 110.008 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' CG ' ' N ' ' A' ' 110' ' ' THR . 3.7 t70 60.34 -91.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 55.0 m -91.57 -61.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.412 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -126.24 168.03 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.464 ' CD1' HD12 ' A' ' 114' ' ' LEU . 0.8 OUTLIER -126.79 107.82 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 112' ' ' LEU . 23.2 tt0 -83.08 130.79 35.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 112' ' ' LEU . 38.8 mt -127.19 169.45 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -155.07 129.98 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.519 ' CG2' ' HD3' ' A' ' 10' ' ' LYS . 7.9 m -124.04 -168.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.6 mmt -148.35 89.16 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 111.014 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.04 159.35 41.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 149.39 21.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.63 164.11 2.18 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 t 72.63 89.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -171.88 80.02 0.09 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -70.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.7 p -41.03 123.92 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.96 90.55 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -124.16 122.44 37.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.61 87.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.048 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.37 85.99 1.44 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.383 1.052 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -157.04 -57.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 109.987 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -112.37 152.28 28.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.4 -155.64 12.59 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.577 1.173 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.18 -130.37 10.25 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.458 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo -75.13 152.1 39.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.557 1.819 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' CD ' ' HG3' ' A' ' 118' ' ' PRO . 1.7 tttt -94.82 123.56 38.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -111.31 148.24 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -135.03 134.91 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -107.11 135.76 48.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.2 mp -120.75 135.59 55.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.1 120.46 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER -47.99 112.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.621 1.201 . . . . 0.0 110.257 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 p -83.21 -92.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.03 -66.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -63.48 -56.4 16.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.24 76.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 59.4 -165.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 0.783 . . . . 0.0 110.992 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -134.27 62.92 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 111.066 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.474 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.5 p90 -179.19 160.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.522 ' CG2' ' CG ' ' A' ' 67' ' ' GLN . 2.8 t -140.01 161.09 38.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -110.03 177.65 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.72 175.4 3.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 t60 67.82 104.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.636 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -159.0 126.16 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.8 mt -113.61 109.66 29.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.511 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.9 t -117.67 174.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.511 ' CD1' ' O ' ' A' ' 30' ' ' VAL . 25.6 m-85 -152.2 61.93 4.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.94 173.34 14.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.406 1.74 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.0 144.73 30.59 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -80.74 154.93 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.23 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.6 t 42.61 34.19 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.88 115.03 22.54 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.29 85.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 109.245 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -95.83 134.37 38.87 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.095 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -80.74 94.35 6.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.8 t -152.13 107.58 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -93.64 48.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.52 52.01 13.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.587 1.179 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -173.94 107.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -85.19 152.96 22.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 110.351 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -139.62 -59.44 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -179.91 157.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.419 1.075 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.0 146.09 17.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.19 150.9 20.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.36 146.24 42.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -105.19 -145.04 13.18 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.401 1.063 . . . . 0.0 110.973 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.16 -65.26 1.12 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.74 128.77 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.796 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -117.75 157.94 25.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.39 154.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -169.6 91.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -175.84 170.93 2.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mt -85.51 88.82 7.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -98.53 156.77 35.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.418 1.746 . . . . 0.0 111.023 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 mtt -122.16 -175.71 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.152 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -169.88 105.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.5 HG23 ' CE1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -92.53 -6.99 48.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.388 1.055 . . . . 0.0 110.359 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.543 ' O ' ' CG ' ' A' ' 64' ' ' PHE . 2.3 mp 59.82 152.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 39.7 m-85 -162.54 145.79 11.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 86.8 t -73.99 141.73 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.432 ' HB3' ' CG2' ' A' ' 24' ' ' THR . 0.0 OUTLIER -108.77 -30.71 8.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.365 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.522 ' CG ' ' CG2' ' A' ' 24' ' ' THR . 3.7 pt20 -155.28 179.95 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 67' ' ' GLN . 25.9 t -160.53 127.17 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 13.0 tptt -69.73 113.51 7.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 98.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.58 25.21 4.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.386 1.054 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.58 -160.39 16.08 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 -65.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -42.57 -44.77 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.05 -55.4 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.5 -46.51 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.378 1.049 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -48.32 -24.33 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.6 1.188 . . . . 0.0 109.229 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.14 10.35 30.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -75.75 170.25 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 0.77 . . . . 0.0 109.187 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -164.7 -158.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 m -104.05 152.25 22.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.296 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.66 -22.04 15.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.77 136.28 57.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -95.28 149.19 21.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.3 mm -94.57 127.07 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.321 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.521 ' C ' ' CD ' ' A' ' 87' ' ' LYS . 4.4 pt -110.9 -38.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.521 ' CD ' ' C ' ' A' ' 86' ' ' ILE . 0.0 OUTLIER -146.25 164.02 33.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.433 HG11 ' N ' ' A' ' 89' ' ' ASN . 46.4 t -109.99 -115.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.433 ' N ' HG11 ' A' ' 88' ' ' VAL . 5.1 p30 -105.19 53.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.78 34.98 10.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -135.22 107.18 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.45 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . 69.0 m -58.74 119.09 6.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.4 m -83.54 52.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.3 mm -102.63 119.84 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.53 54.81 4.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 92' ' ' SER . 40.7 mttp -129.33 166.23 19.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.514 ' CG2' ' O ' ' A' ' 97' ' ' THR . 4.9 t -134.0 49.85 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.465 ' HA ' ' CG2' ' A' ' 101' ' ' VAL . 5.2 t80 67.56 -61.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.2 OUTLIER -47.76 -30.74 4.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -64.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.469 HG21 ' CD1' ' A' ' 63' ' ' ILE . 7.6 m -53.04 -40.42 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 mm -46.78 -49.56 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.55 -43.66 76.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 29.6 mt -53.51 -36.47 61.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 108' ' ' SER . 7.8 mt -74.26 -33.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.85 -16.89 52.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.204 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.5 m-80 -79.16 -14.56 59.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.4 ' HB3' ' O ' ' A' ' 105' ' ' ILE . 0.1 OUTLIER -49.04 -58.02 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.403 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 40.1 t0 70.77 -69.8 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.2 m -94.21 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -126.09 148.69 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.38 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.413 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.8 OUTLIER -123.0 117.42 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.359 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.422 ' HB3' ' HA ' ' A' ' 89' ' ' ASN . 26.5 tt0 -99.28 143.68 29.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 10.2 mt -137.88 165.6 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.401 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 15.0 m -142.27 125.96 16.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 19.5 m -121.59 -167.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 5.3 mmt -147.51 89.86 5.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.445 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -74.96 150.55 38.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.03 156.31 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.219 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 122' ' ' GLY . 1.5 m-20 -109.01 -44.99 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.7 m 64.76 -78.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.964 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 120' ' ' ASP . . . -110.57 -166.43 19.21 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.602 1.189 . . . . 0.0 110.991 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 59.81 5.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.0 m -146.3 90.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.8 p -68.45 159.26 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 p -175.17 157.75 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.954 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.98 89.99 0.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.9 171.68 20.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -161.43 -50.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.921 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.5 152.49 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.62 59.41 1.25 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.594 1.184 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.79 88.09 0.33 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.25 17.57 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.508 ' HD3' ' CG2' ' A' ' 116' ' ' VAL . 0.8 OUTLIER -103.43 119.25 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.4 m -96.53 134.4 39.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.21 . . . . 0.0 110.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.478 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.12 124.62 60.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.0 m -97.12 148.9 22.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 114' ' ' LEU . 5.8 mp -134.36 156.07 49.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 4.1 mttm -121.45 120.97 36.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.494 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -39.11 111.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.89 175.73 7.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -43.64 -57.41 3.19 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -133.03 128.75 36.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.68 -142.95 46.13 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.122 . . . . 0.0 111.09 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CE1' ' HA ' ' A' ' 16' ' ' ARG . 1.2 m-85 -142.18 21.46 2.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 81.81 -81.11 1.69 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.472 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.5 p90 -59.88 169.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -158.1 170.2 22.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.426 ' CD2' ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -121.29 158.72 27.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.07 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.83 149.33 30.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 t60 179.76 130.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.431 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 3.1 t80 -74.99 -174.04 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' ' 28' ' ' PHE . 3.0 mt 79.25 84.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 59.3 t -76.07 120.34 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.669 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 2.2 m-85 -83.27 -40.25 0.79 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.02 154.9 42.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -129.9 138.95 51.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 t 61.97 26.9 16.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.057 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -110.32 -74.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.51 95.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -92.48 -16.41 25.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.352 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.35 101.97 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.74 97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -167.55 -59.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.53 115.75 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.215 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.97 114.73 23.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.34 143.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.49 109.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -137.46 167.49 21.53 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.541 1.151 . . . . 0.0 109.361 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.89 170.36 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -143.85 165.02 28.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -178.85 155.54 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.11 -162.35 9.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.594 1.184 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.71 114.21 3.39 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -176.24 132.22 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.68 153.78 41.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.42 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.22 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.53 98.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.31 161.1 8.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.1 173.34 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' OE1' ' CD1' ' A' ' 31' ' ' TYR . 6.6 mm-40 -116.96 165.74 14.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -18.08 19.08 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 110.975 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.415 ' HE3' ' N ' ' A' ' 98' ' ' TYR . 14.1 ptm -57.03 124.12 17.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.99 -78.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.536 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 32.8 m -146.81 162.63 38.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.496 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.1 mp -89.8 134.89 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.536 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 88.6 m-85 -136.56 123.79 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.41 ' CG1' ' O ' ' A' ' 80' ' ' CYS . 87.5 t -49.78 142.93 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -107.81 -48.47 3.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 161.44 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 9.8 t -134.78 115.0 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -49.96 106.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 86.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.51 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 117.07 12.39 8.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.46 1.1 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.24 -156.91 32.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.373 1.722 . . . . 0.0 110.978 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -43.65 -51.47 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.51 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 4.3 t80 -47.48 -49.02 26.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.428 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.9 mm-40 -70.87 -51.37 26.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.12 -27.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 113.54 11.69 12.76 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.478 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.0 tp -73.92 159.07 33.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 0.717 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.41 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -156.15 -160.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 108.382 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.7 p -103.51 137.95 40.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.23 -20.5 42.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -72.69 125.6 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.322 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 1.8 ptt180 -94.01 150.34 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 24.1 mm -88.35 134.06 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.459 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 41.5 pt -116.84 -38.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.459 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 10.0 mttt -132.99 160.11 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 51.2 t -146.28 110.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 61.74 17.14 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.7 -9.68 57.11 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.11 121.89 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 110.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 p -74.36 112.17 10.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 m -51.64 -22.91 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 26.7 mm -48.55 116.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.1 -39.65 2.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -67.64 162.24 24.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.9 160.93 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.415 ' N ' ' HE3' ' A' ' 60' ' ' MET . 29.5 t80 -38.18 -62.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -55.23 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.943 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -51.28 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.629 1.206 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 98' ' ' TYR . 30.9 m -47.38 -38.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.6 mm -59.99 -54.43 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.73 69.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.1 mt -51.42 -33.19 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.69 -46.54 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.92 -33.94 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.242 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -105.79 21.23 17.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 83.1 p -56.71 -20.4 21.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.8 t0 81.78 -152.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -47.24 -60.2 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -107.54 -175.72 2.87 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -152.13 111.12 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.429 ' N ' HD23 ' A' ' 112' ' ' LEU . 19.6 tt0 -94.13 135.64 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.463 ' CD1' HD13 ' A' ' 14' ' ' LEU . 29.0 mt -127.02 -173.68 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -166.08 131.59 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.508 ' CG2' ' HD3' ' A' ' 10' ' ' LYS . 11.2 m -127.4 -164.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.2 mmt -141.57 87.92 10.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.501 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 17.9 Cg_endo -75.06 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.8 156.24 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -56.73 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 60.4 p -119.34 113.85 21.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.961 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -170.8 87.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.571 1.169 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -73.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.8 m 62.31 72.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.057 . . . . 0.0 110.011 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.81 165.67 23.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.635 1.209 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.581 1.175 . . . . 0.0 110.973 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.883 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -160.11 150.83 18.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 110.032 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 p -158.96 141.18 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.613 1.195 . . . . 0.0 109.965 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.34 152.17 26.09 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.91 96.94 1.78 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.961 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m 40.44 82.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.76 165.45 24.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.63 161.26 37.31 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.56 41.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HD3' ' CG ' ' A' ' 118' ' ' PRO . 7.3 tttt -90.56 152.16 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 m -135.37 131.18 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.482 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.37 125.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.7 m -101.1 153.14 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.403 HD23 ' N ' ' A' ' 74' ' ' ALA . 4.4 mp -135.72 156.86 48.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -131.71 115.65 16.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.3 113.76 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.351 1.032 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.8 t -125.81 -53.39 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 94.1 p -164.94 150.65 9.88 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.496 1.123 . . . . 0.0 109.951 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.93 -178.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.41 75.25 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 24.5 m-85 45.34 67.82 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.747 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' PHE . . . 38.16 -94.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.169 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.551 ' CZ ' HD12 ' A' ' 114' ' ' LEU . 7.2 p90 -45.92 173.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.5 t -153.87 170.9 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -116.53 162.47 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -172.63 175.1 3.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 m170 59.05 80.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -106.74 -173.19 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 pp -117.91 178.71 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.577 HG21 ' CD2' ' A' ' 31' ' ' TYR . 29.8 m -108.18 -128.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.577 ' CD2' HG21 ' A' ' 30' ' ' VAL . 72.4 m-85 57.04 59.17 7.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.486 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -74.97 163.16 35.93 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.512 1.796 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -122.6 -51.22 1.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.352 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.3 t -133.53 33.59 3.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.937 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -79.95 58.08 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -78.52 120.67 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -80.07 61.67 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 42.95 84.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.4 t 51.62 99.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.942 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.78 175.07 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 138.01 23.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 178.5 110.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 155.81 48.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -174.99 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -172.55 126.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.52 -158.44 25.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.84 116.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -129.52 149.61 51.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.82 -106.64 0.25 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.3 129.18 4.35 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.74 96.73 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.529 0.782 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -112.62 89.13 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.573 ' C ' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER 24.14 83.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.68 147.72 45.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.61 73.07 0.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 52.99 79.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.09 160.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.445 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.99 -160.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.82 -54.55 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -40.67 152.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 13.3 t -137.47 -152.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 110.379 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.408 ' CD1' HG22 ' A' ' 101' ' ' VAL . 1.8 mp -78.53 103.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.584 1.178 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -111.39 132.97 54.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.7 t -51.87 156.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -122.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.11 162.78 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 23.9 t -134.58 108.63 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -40.15 121.95 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.67 76.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.447 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 116.38 32.22 1.68 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -107.3 -154.78 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -75.02 -68.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.586 1.835 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.438 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -44.25 -38.51 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.447 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 25.0 t80 -60.45 -40.35 90.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 2.3 mm-40 -69.13 -49.09 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.72 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.38 15.42 38.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.339 1.025 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.482 ' CD1' HG21 ' A' ' 12' ' ' VAL . 3.3 tp -64.52 154.59 35.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 16.6 p -141.91 -164.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 157.48 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.54 -31.15 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 25.8 m-20 -59.04 128.87 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.8 ptt180 -94.62 148.81 21.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 36.0 mm -82.41 129.81 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.473 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 34.6 pt -111.86 -34.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 0.3 OUTLIER -137.27 163.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 87' ' ' LYS . 56.0 t -157.64 104.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.46 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 0.9 OUTLIER 58.96 39.96 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.3 21.7 9.03 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.554 1.158 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -15.4 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 0.731 . . . . 0.0 110.233 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t 61.33 105.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.435 ' CG1' ' HB ' ' A' ' 88' ' ' VAL . 13.8 m -89.77 48.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.1 mm -95.01 102.93 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.37 -45.83 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.587 1.179 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -42.65 151.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 11.4 t -85.47 -154.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.437 ' N ' ' OG1' ' A' ' 97' ' ' THR . 22.6 t80 -83.59 -51.97 6.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -44.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.06 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -52.1 -66.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.408 HG22 ' CD1' ' A' ' 63' ' ' ILE . 34.8 m -52.89 -38.05 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.7 mm -58.42 -46.83 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.403 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -62.25 -32.71 73.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.447 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 10.5 mt -64.95 -29.34 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.424 HG23 ' CE2' ' A' ' 21' ' ' PHE . 13.0 mt -84.3 -36.57 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -78.9 -24.1 44.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.524 ' C ' ' OD1' ' A' ' 107' ' ' ASN . 41.3 p30 -99.65 -0.37 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.444 ' OG ' ' ND2' ' A' ' 89' ' ' ASN . 0.5 OUTLIER -71.42 -6.33 39.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.9 t70 76.84 -156.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.5 m -53.9 -60.73 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 155.49 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.412 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.46 ' CD2' ' OD1' ' A' ' 89' ' ' ASN . 0.7 OUTLIER -152.2 120.33 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.43 ' N ' HD22 ' A' ' 112' ' ' LEU . 39.8 tt0 -98.25 148.23 23.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.551 HD12 ' CZ ' ' A' ' 23' ' ' PHE . 24.5 mt -131.53 -179.48 5.39 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -163.06 125.26 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.458 ' O ' ' HB3' ' A' ' 10' ' ' LYS . 10.3 m -125.26 -174.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.488 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 0.0 OUTLIER -144.9 82.29 10.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.638 1.211 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.461 ' CG ' ' HD3' ' A' ' 10' ' ' LYS . 18.4 Cg_endo -74.95 -178.19 3.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.593 1.839 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.76 144.45 22.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.6 t70 63.41 102.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.9 m -40.8 -72.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.88 -141.41 15.44 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 134.81 18.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.4 1.737 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.84 177.22 4.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.9 83.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 t -150.04 94.63 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.97 170.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.923 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.41 108.97 1.44 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -149.85 150.91 32.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 0.802 . . . . 0.0 109.96 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m 51.18 91.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.99 65.45 0.06 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.49 -147.06 16.27 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.55 ' CD ' ' CG2' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -105.61 128.21 53.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.5 m -116.95 130.78 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -138.46 143.84 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.7 m -111.43 155.42 23.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.408 HD12 ' CD1' ' A' ' 114' ' ' LEU . 5.5 mp -139.6 130.5 26.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' HG3' ' CG2' ' A' ' 111' ' ' THR . 0.0 OUTLIER -97.73 113.68 25.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 0.1 OUTLIER -41.05 111.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.1 p -72.21 -28.69 63.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 t -172.24 -75.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 0.0 110.019 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.76 -67.61 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 21' ' ' PHE . . . -87.54 -121.16 1.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.513 ' CE1' ' HA ' ' A' ' 16' ' ' ARG . 37.2 m-85 -163.89 162.18 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.407 0.71 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -46.36 -91.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.423 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.3 p90 -45.88 170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.73 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 14.0 t -145.48 162.31 37.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.35 172.84 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.57 139.49 51.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 110.254 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CG ' ' CD2' ' A' ' 98' ' ' TYR . 45.5 t-80 -178.14 102.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.578 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -119.33 -33.84 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 111.065 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.512 ' O ' ' CG1' ' A' ' 30' ' ' VAL . 38.6 mt -34.12 -51.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 29' ' ' ILE . 8.0 p 50.19 177.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.489 ' CD1' ' O ' ' A' ' 30' ' ' VAL . 26.9 m-85 -149.34 91.38 4.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.36 33.52 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.511 1.795 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 18.2 Cg_endo -75.02 -0.11 9.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 3.9 tt0 85.97 -45.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 t -128.77 115.27 17.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 177.8 108.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.9 mt -87.5 -9.99 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.3 139.83 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -55.35 156.62 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.35 175.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.066 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.564 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -85.67 44.0 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -113.34 92.0 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.48 -57.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -142.23 162.64 34.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.68 102.47 11.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -163.6 148.44 10.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.359 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.91 119.88 0.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -121.68 -59.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.52 136.12 2.56 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.391 1.057 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.82 120.78 0.59 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.59 107.94 1.64 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.54 99.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 0.738 . . . . 0.0 109.332 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -176.69 -61.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mtm-85 -85.03 166.35 16.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -149.53 149.54 30.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -146.97 160.82 41.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.34 76.05 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -90.67 157.19 44.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -161.09 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.8 mtt -139.1 178.41 7.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 111.06 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 35.2 t70 -178.06 94.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -54.99 166.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.7 mp -90.57 104.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.0 m-85 -121.79 130.48 53.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.629 1.205 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 80.4 t -51.76 147.45 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -117.5 -49.15 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.067 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -142.14 167.26 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.46 114.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 1.5 tptp -57.88 115.98 3.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 92.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.44 19.08 7.23 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.401 1.063 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.72 -159.78 27.75 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.423 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -50.33 -47.36 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.86 -46.27 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.5 mm-40 -73.23 -50.19 23.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.186 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.48 -26.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.248 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 103.02 21.05 10.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.7 tp -79.17 162.96 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 0.811 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -150.53 -160.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.33 160.89 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.6 62.54 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -86.69 121.76 29.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 0.812 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 19.8 ptt180 -94.0 150.11 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.238 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.447 HD12 ' CG1' ' A' ' 116' ' ' VAL . 13.3 mm -90.89 141.01 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.218 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.437 ' O ' ' CG2' ' A' ' 93' ' ' VAL . 6.7 pt -121.53 -41.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.43 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 4.7 mttt -125.49 161.53 26.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' GLU . 38.7 t -150.73 118.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 48.39 27.74 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.41 33.13 85.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.429 1.081 . . . . 0.0 111.077 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -108.12 -7.18 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 0.0 110.251 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m 62.46 144.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.053 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 86' ' ' ILE . 10.5 m -100.43 -25.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 3.8 mp -51.72 122.48 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.07 -23.18 36.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -81.3 156.83 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 109.335 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 97' ' ' THR . 13.3 t -114.8 62.38 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.542 ' CD2' ' CG ' ' A' ' 27' ' ' HIS . 24.0 t80 55.53 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.393 1.058 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -35.61 -34.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 11.6 mt-30 -63.81 -57.39 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.439 ' N ' ' O ' ' A' ' 98' ' ' TYR . 13.9 m -63.21 -31.32 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 14.0 mm -54.83 -49.91 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.326 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -56.17 -44.89 79.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.439 ' O ' ' N ' ' A' ' 108' ' ' SER . 47.6 mt -52.13 -42.9 63.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.7 mt -67.22 -45.33 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.221 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.02 -30.19 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 103' ' ' ALA . 34.5 m-80 -113.65 28.19 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.533 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 1.9 m -77.01 -0.1 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.05 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 108' ' ' SER . 5.6 t70 84.15 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 88.1 m -41.05 -36.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.609 1.193 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.498 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -116.3 177.49 4.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.372 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.498 ' HB3' ' CZ ' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -156.49 111.94 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -90.28 128.53 36.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.408 ' CD1' HD12 ' A' ' 14' ' ' LEU . 28.6 mt -108.28 172.09 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.88 117.42 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.55 ' CG2' ' CD ' ' A' ' 10' ' ' LYS . 34.0 m -130.8 174.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.67 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -141.58 49.25 1.4 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.67 ' HD3' ' N ' ' A' ' 117' ' ' MET . 18.5 Cg_endo -74.91 160.19 40.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.61 33.58 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -85.15 105.78 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.61 -48.73 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.45 175.16 49.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.508 1.794 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 t 72.42 -61.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.9 t -148.75 144.95 27.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.429 1.081 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -153.52 -62.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.994 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.78 155.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.11 -179.38 51.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -140.95 155.47 46.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 0.719 . . . . 0.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.76 102.82 2.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.949 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.13 176.01 0.59 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.91 -76.2 0.34 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 166.65 28.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.594 ' CD ' ' HG3' ' A' ' 118' ' ' PRO . 0.3 OUTLIER -126.82 119.22 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 m -96.87 129.74 44.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -127.64 141.87 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 39.8 m -110.01 147.48 33.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mp -133.81 160.47 37.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 16' ' ' ARG . 14.7 mttt -129.04 120.83 26.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.447 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 5.3 ttt180 -38.13 111.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.6 p -122.06 -51.86 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 110.462 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 p -120.26 -174.88 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.912 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.55 -58.63 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.38 49.97 0.86 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.432 1.083 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.447 ' CE1' ' HA ' ' A' ' 16' ' ' ARG . 99.6 m-85 50.8 178.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -56.11 -78.27 0.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.545 1.153 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.456 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 7.2 p90 -51.09 172.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -158.03 160.49 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -110.35 176.24 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -117.39 167.89 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 28' ' ' PHE . 39.4 m80 -94.58 41.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.633 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.471 ' CE1' ' O ' ' A' ' 62' ' ' THR . 4.3 p90 -48.5 179.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.581 HG21 ' CD1' ' A' ' 31' ' ' TYR . 14.4 mt -63.52 100.68 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.215 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.42 ' CG2' ' HD3' ' A' ' 32' ' ' PRO . 1.3 m -110.17 -26.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.581 ' CD1' HG21 ' A' ' 29' ' ' ILE . 3.1 m-85 54.26 67.84 3.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.42 ' HD3' ' CG2' ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.95 148.64 35.8 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.61 16.03 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.08 157.23 20.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.219 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 t 39.88 34.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.083 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -109.32 73.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.383 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 42.7 mm -105.73 -99.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 65.38 75.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -99.38 156.86 16.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.56 106.72 18.74 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -168.22 -67.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.59 57.75 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.58 165.78 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -112.94 151.65 30.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -43.75 164.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 56.21 102.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.89 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -160.96 -55.81 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.86 170.0 21.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.08 -118.57 0.73 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.69 160.74 4.48 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -176.09 130.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.208 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -175.25 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -132.07 44.21 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -135.36 98.7 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -177.52 163.44 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.14 179.65 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.222 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -178.72 157.42 0.97 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.59 1.181 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.561 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.96 -58.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.551 1.816 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -164.63 165.95 20.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -151.16 88.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.211 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 22.8 m -143.25 164.38 30.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.5 mp -120.13 139.6 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.618 1.199 . . . . 0.0 109.363 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -135.42 139.34 44.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.07 138.88 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.42 -54.65 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -151.68 172.38 16.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 76.6 t -131.83 127.68 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 30.0 tptt -69.55 113.92 7.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.68 91.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.24 28.03 3.72 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.574 1.171 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.62 -160.72 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -62.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -44.93 -51.7 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -48.12 -46.75 34.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -71.61 -51.97 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -44.19 -27.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' O ' ' NZ ' ' A' ' 10' ' ' LYS . . . 105.06 23.95 7.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.491 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -82.96 165.64 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -156.12 -160.8 1.04 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 0.0 108.375 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 156.42 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.61 -22.97 14.19 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -70.23 131.59 44.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.2 mtm180 -100.06 149.35 23.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 15.0 mm -84.3 137.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.45 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 20.4 pt -120.88 -40.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.482 ' O ' ' CG2' ' A' ' 88' ' ' VAL . 4.0 mttt -129.7 158.93 38.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 87' ' ' LYS . 54.1 t -157.58 137.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 m120 45.11 40.84 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.391 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.76 34.02 50.09 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -116.28 160.08 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.225 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -95.72 102.67 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 12.2 m -92.16 37.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.86 87.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.09 -38.09 2.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -44.59 153.48 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 100' ' ' GLN . 5.2 t -95.36 149.77 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.512 ' CZ ' ' CD1' ' A' ' 102' ' ' ILE . 68.7 t80 -39.26 -46.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -52.1 -44.29 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 97' ' ' THR . 47.8 mt-30 -61.71 -68.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.458 ' CG2' ' HA ' ' A' ' 98' ' ' TYR . 11.2 m -46.9 -39.67 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.512 ' CD1' ' CZ ' ' A' ' 98' ' ' TYR . 2.0 mm -50.39 -48.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.17 87.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 mt -47.7 -38.02 14.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 47.7 mt -74.69 -49.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -58.07 -23.58 55.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -110.24 16.77 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 77.2 p -61.97 -15.79 46.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 75.23 -157.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -46.36 -61.28 1.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -95.41 176.0 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.628 1.205 . . . . 0.0 110.411 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.43 ' CB ' ' CZ ' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -155.0 109.6 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -92.79 138.82 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 18.3 mt -126.88 177.26 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -160.12 132.82 6.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.411 ' CG2' ' HD3' ' A' ' 10' ' ' LYS . 10.9 m -134.16 -175.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -125.99 86.18 58.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.594 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.16 164.26 33.41 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.378 1.725 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.73 164.08 15.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.1 137.43 58.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.91 128.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -177.91 154.02 14.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 137.64 22.05 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.33 -61.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.067 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.35 -58.4 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.43 1.082 . . . . 0.0 111.04 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -55.05 130.56 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.01 132.88 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.85 -71.35 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.6 1.187 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.0 111.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 0.715 . . . . 0.0 110.029 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -50.32 122.58 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.44 110.33 1.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.65 112.27 1.55 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 150.82 38.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.435 1.755 . . . . 0.0 110.954 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.468 ' CD ' ' HG3' ' A' ' 118' ' ' PRO . 4.9 tttt -93.87 128.2 40.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -117.7 146.66 43.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.479 HG23 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -141.9 129.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.35 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -98.98 148.35 24.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 HD21 ' CD1' ' A' ' 23' ' ' PHE . 5.4 mp -134.42 156.92 47.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 6.1 mttp -126.94 123.23 36.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -47.2 111.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -119.35 125.02 48.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.18 -79.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.99 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.95 -55.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.85 -168.43 43.95 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.42 1.075 . . . . 0.0 110.999 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.469 ' CZ ' ' OG ' ' A' ' 108' ' ' SER . 15.8 m-85 -113.27 37.65 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 73.59 -94.37 0.75 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.566 1.166 . . . . 0.0 110.955 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.467 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 18.0 p90 -48.06 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.79 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.7 t -141.1 162.34 35.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.609 1.193 . . . . 0.0 110.385 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -108.39 176.54 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.29 132.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -159.88 -177.09 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 109.627 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -141.92 -47.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.57 HG21 ' CD1' ' A' ' 31' ' ' TYR . 9.9 mm -40.73 102.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.535 ' CG2' ' N ' ' A' ' 31' ' ' TYR . 1.8 p -93.79 -105.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.57 ' CD1' HG21 ' A' ' 29' ' ' ILE . 21.6 m-85 60.58 101.87 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 168.52 24.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.93 -70.67 0.28 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.434 1.084 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.7 t -141.09 39.35 1.77 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.435 1.084 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.48 64.12 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.7 mt -102.45 -14.6 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.7 163.36 16.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -119.31 -59.69 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.89 153.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.051 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.63 158.49 17.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 149.45 50.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.603 1.189 . . . . 0.0 109.204 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.55 134.52 28.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.52 82.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 177.92 73.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.199 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 176.77 167.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.06 -60.16 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -62.86 153.44 33.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 177.08 156.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.388 1.055 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.02 154.98 6.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.22 -149.17 8.95 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.82 60.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 65.65 134.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 110.261 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -148.1 135.65 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 110.27 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 179.22 155.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -132.06 163.53 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 74.84 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -72.17 156.9 90.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.462 ' O ' ' CG ' ' A' ' 60' ' ' MET . 18.2 Cg_endo -75.09 -48.35 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.462 ' CG ' ' O ' ' A' ' 59' ' ' PRO . 5.4 mtm -168.37 103.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.39 106.14 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 m -145.95 154.32 41.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mp -115.93 137.42 49.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -140.92 141.33 34.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.7 t -67.39 149.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -119.1 -44.7 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -140.09 163.52 32.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' GLU . 12.7 t -137.39 107.93 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 71' ' ' GLY . 3.6 tmtt? -42.39 98.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' VAL . 6.8 tt0 -59.27 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.552 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.59 24.3 5.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.22 -150.14 13.59 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -68.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -43.29 -45.12 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.552 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 16.0 t80 -52.13 -50.87 60.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.53 -49.82 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.54 -23.02 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.74 21.82 20.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.479 ' CD1' HG23 ' A' ' 12' ' ' VAL . 3.1 tp -70.04 163.02 27.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -148.5 -164.82 2.11 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 m -104.29 156.9 17.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.96 -19.77 28.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -64.89 153.15 41.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.781 . . . . 0.0 109.307 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.34 135.87 53.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.411 HD11 ' N ' ' A' ' 85' ' ' ILE . 1.4 mp -82.5 118.42 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.474 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 34.5 pt -99.36 -29.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 19.7 mttt -130.17 165.46 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.472 ' O ' ' N ' ' A' ' 91' ' ' GLU . 77.2 t -155.52 117.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.197 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.439 ' OD1' ' O ' ' A' ' 88' ' ' VAL . 0.2 OUTLIER 39.09 57.38 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 39.96 36.4 0.82 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' VAL . 3.4 tm-20 -108.5 -26.53 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.27 128.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.457 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 8.7 m -109.53 54.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.08 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.65 -36.26 4.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.468 ' CD ' HD12 ' A' ' 104' ' ' LEU . 16.3 mttm -44.34 136.96 3.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 0.756 . . . . 0.0 109.267 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -88.63 158.4 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.445 ' CE1' HD13 ' A' ' 102' ' ' ILE . 14.8 t80 -40.7 -54.34 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -53.06 -44.0 67.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.939 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -61.49 -65.58 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.457 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 18.4 m -48.02 -46.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.366 1.041 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.445 HD13 ' CE1' ' A' ' 98' ' ' TYR . 2.4 mm -42.67 -46.09 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.468 HD12 ' CD ' ' A' ' 96' ' ' LYS . 23.9 mt -51.1 -38.21 50.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.416 ' O ' ' OG ' ' A' ' 108' ' ' SER . 46.7 mt -73.84 -46.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -61.52 -27.32 68.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -101.72 8.63 41.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 90.6 p -60.23 -14.68 18.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.1 t70 79.72 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 m -51.95 -59.96 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -92.95 165.48 12.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -148.88 109.97 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 0.0 109.38 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.427 ' N ' HD22 ' A' ' 112' ' ' LEU . 28.9 tt0 -95.12 139.94 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . . . . . . . . . 11.7 mt -128.77 176.46 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 m -153.5 123.8 7.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.41 ' CG2' ' HD3' ' A' ' 10' ' ' LYS . 17.6 m -124.52 176.68 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.438 ' CG ' HD12 ' A' ' 86' ' ' ILE . 1.5 mmt -133.24 90.07 31.26 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.468 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 169.48 22.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.747 . . . . 0.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -140.2 -64.54 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -103.81 114.05 28.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 m -75.18 -62.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 72.68 121.48 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.18 97.49 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 p 177.35 158.21 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 55.5 p -147.24 116.33 6.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.003 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -40.05 107.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.52 168.64 26.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.54 -105.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 158.66 16.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 0.706 . . . . 0.0 110.053 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.49 98.32 8.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.44 93.04 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.412 1.07 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.84 -78.99 0.03 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -174.27 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.413 1.744 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HD3' ' CG2' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -120.62 132.42 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -103.82 146.73 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.496 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.77 128.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.182 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.1 m -107.96 159.16 16.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.454 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD21 ' CB ' ' A' ' 74' ' ' ALA . 5.0 mp -141.1 149.24 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.478 ' CD ' HG21 ' A' ' 111' ' ' THR . 1.1 mmmm -131.92 113.68 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -43.73 112.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -121.0 -43.16 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.342 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 p -163.2 119.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.899 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLY . 0.6 OUTLIER 63.82 -172.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -36.43 -83.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 17.5 m-85 -164.15 -172.84 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -80.28 6.03 61.64 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 5.3 p90 -145.48 172.77 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -156.64 157.6 35.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.51 179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.06 127.64 56.27 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -110.82 133.39 53.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.651 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.63 -150.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.466 ' O ' ' CE2' ' A' ' 31' ' ' TYR . 3.1 mt 52.7 92.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.24 151.37 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.466 ' CE2' ' O ' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -140.06 95.34 8.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.638 1.211 . . . . 0.0 111.064 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 155.72 43.01 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -62.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.25 -52.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 t -127.53 -53.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.47 105.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.4 mm -59.63 124.2 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.396 1.06 . . . . 0.0 109.355 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.71 146.23 55.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -108.33 129.67 55.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.42 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 23.2 t -113.76 172.44 6.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.42 ' CE2' ' HB3' ' A' ' 40' ' ' SER . 0.5 OUTLIER 39.59 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.0 74.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 t0 175.53 139.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.385 1.053 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.76 107.73 11.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 41.6 -162.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 110.259 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p30 178.14 177.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.393 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.53 -136.18 0.09 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.593 1.183 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -171.92 139.88 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.12 142.41 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.25 124.94 7.99 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.436 1.085 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.37 56.52 0.56 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -123.75 89.31 3.07 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASN . 2.8 mt-30 -116.11 92.69 3.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER 64.06 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.246 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.9 OUTLIER 79.1 155.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.79 -164.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 57' ' ' LEU . 5.5 mp -83.41 70.49 10.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -42.97 165.4 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.581 1.176 . . . . 0.0 110.238 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.403 ' HG3' ' CD2' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.98 -65.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.439 1.757 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 73.4 88.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.068 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -112.13 168.35 9.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.56 ' HB ' ' CE2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -80.14 170.68 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 110.326 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.424 ' O ' ' O ' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -86.05 -64.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.56 ' CE2' ' HB ' ' A' ' 62' ' ' THR . 15.5 m-85 55.52 112.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 29.1 t -54.74 132.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -75.49 -62.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.608 1.192 . . . . 0.0 109.32 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -151.14 178.5 9.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.74 131.14 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -76.39 136.34 39.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 94.88 7.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.4 37.51 0.92 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.56 -168.93 13.11 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 111.045 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.463 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -50.87 -58.81 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -40.88 -50.4 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.4 mm-40 -62.84 -54.82 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -40.5 -32.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.43 9.54 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.496 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.4 tp -66.74 160.75 25.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -157.81 -162.05 1.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.29 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.0 p -102.75 130.86 49.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.17 -27.63 11.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -67.15 122.8 18.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.28 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.408 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 8.1 ptp180 -94.32 151.24 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 17.4 mm -88.02 138.0 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.45 ' CG1' ' HE3' ' A' ' 87' ' ' LYS . 10.3 pt -117.39 -35.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.45 ' HE3' ' CG1' ' A' ' 86' ' ' ILE . 1.4 mttt -134.37 163.9 28.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' GLU . 77.3 t -148.21 124.9 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 45.18 27.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.24 97.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -102.19 -6.01 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 110.351 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t 58.27 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.426 HG11 ' CG1' ' A' ' 101' ' ' VAL . 11.4 m -99.27 26.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mm -62.82 -33.18 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.99 36.6 3.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -122.95 155.39 36.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.721 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.56 168.04 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 55.4 t80 -49.62 -61.42 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.929 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -34.91 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -69.68 -72.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.426 ' CG1' HG11 ' A' ' 93' ' ' VAL . 33.6 m -47.18 -38.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.225 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 8.3 mm -47.52 -54.88 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -58.51 -44.24 89.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.406 ' O ' ' OG ' ' A' ' 108' ' ' SER . 30.3 mt -52.98 -37.31 61.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 mt -74.69 -46.72 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -64.44 -24.48 67.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.7 m-80 -113.97 25.53 11.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.467 ' OG ' ' CD2' ' A' ' 112' ' ' LEU . 3.3 m -78.23 -12.53 60.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.925 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 110' ' ' THR . 10.8 t70 75.37 -175.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 26.3 m -37.66 -61.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.478 HG21 ' CD ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -86.52 162.87 17.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.467 ' CD2' ' OG ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -159.93 109.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.402 ' N ' HD23 ' A' ' 112' ' ' LEU . 31.1 tt0 -90.18 131.07 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.57 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 34.5 mt -114.23 166.17 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -143.95 127.4 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.977 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.497 ' CG2' ' HD3' ' A' ' 118' ' ' PRO . 35.4 m -135.09 -167.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.204 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.595 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -163.98 54.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.595 ' HD3' ' N ' ' A' ' 117' ' ' MET . 17.8 Cg_endo -75.09 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.4 tttt -154.73 -76.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.333 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -60.06 99.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.211 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.93 167.59 11.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.062 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 151.99 111.71 0.5 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 159.32 41.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.05 160.25 43.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.2 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.932 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.36 92.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 0.815 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -175.22 161.05 2.77 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.17 179.54 45.45 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.11 168.74 6.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 0.707 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.57 160.6 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.12 98.15 0.66 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.21 -59.46 0.68 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -165.29 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 11' ' ' THR . 14.0 tptt -132.35 142.46 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.458 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 95.0 m -127.97 139.79 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.342 1.026 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.489 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.65 122.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.9 m -96.99 158.04 15.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.0 mp -144.38 164.04 31.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.437 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 13.6 mttt -123.85 129.78 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.511 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 11.0 ttt180 -45.12 112.2 0.41 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 110.235 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 18' ' ' SER . 2.5 p -127.55 -170.13 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -52.91 -173.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.953 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.19 103.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.77 135.67 9.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.645 ' CE2' ' CB ' ' A' ' 112' ' ' LEU . 10.2 m-85 -90.57 41.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.08 11.68 82.09 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.517 ' CZ ' HD13 ' A' ' 114' ' ' LEU . 1.2 p90 -168.22 170.39 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.489 HG22 ' CG ' ' A' ' 66' ' ' LYS . 2.5 t -144.88 162.21 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -109.72 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -150.41 176.54 10.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 68.51 119.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -125.54 28.62 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 6.6 mt -72.45 87.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.593 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 4.7 m -96.35 169.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 30' ' ' VAL . 12.9 m-85 -153.95 60.06 2.81 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.567 1.167 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.478 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.03 165.51 31.13 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -166.86 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.436 1.756 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.1 -60.83 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 t -127.28 -57.63 1.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 55.01 173.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 mt -87.56 135.31 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -48.63 65.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.199 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -177.76 157.68 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 111.063 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.0 p -170.01 96.1 0.27 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.53 1.144 . . . . 0.0 110.045 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 42' ' ' LYS . 41.7 t80 -169.56 151.34 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 1.7 mptt -82.83 -175.33 5.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -113.53 -61.17 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -110.69 -74.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 110.215 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.46 130.88 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 59.22 169.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.2 99.51 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.0 t30 179.51 92.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.88 170.57 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -179.33 168.43 39.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -176.1 -71.19 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mptt 64.67 -80.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.45 0.735 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' GLY . 38.3 mt-30 60.81 175.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 63.45 170.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.231 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.84 101.74 6.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -179.2 141.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -112.13 23.04 14.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 67.59 164.58 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.559 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.89 -47.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 111.033 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.5 mtt -145.07 -64.38 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t0 54.45 29.12 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.508 ' CG2' ' CE2' ' A' ' 64' ' ' PHE . 29.9 m -91.42 161.84 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 110.39 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.405 HG22 ' CG1' ' A' ' 85' ' ' ILE . 2.7 mp -127.67 77.09 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.371 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.508 ' CE2' ' CG2' ' A' ' 62' ' ' THR . 71.2 m-85 -84.33 124.96 31.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.488 ' CG2' ' O ' ' A' ' 83' ' ' ASP . 41.4 t -54.4 123.69 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 0.0 109.393 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.489 ' CG ' HG22 ' A' ' 24' ' ' THR . 8.9 tptt -77.29 -55.15 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.416 ' HG3' ' N ' ' A' ' 68' ' ' VAL . 2.5 pt20 -149.5 -179.64 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.416 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 18.9 t -145.8 110.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -46.22 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -114.92 88.29 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.85 2.47 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 -167.33 20.24 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -57.73 -44.96 86.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.22 -44.54 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.6 mm-40 -71.67 -49.4 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.15 -27.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.92 11.67 22.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.489 ' CD1' HG22 ' A' ' 12' ' ' VAL . 1.8 tp -64.5 -176.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 0.724 . . . . 0.0 109.378 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.467 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -178.29 -161.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 108.268 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -103.75 133.16 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.32 -27.17 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . 0.488 ' O ' ' CG2' ' A' ' 65' ' ' VAL . 0.4 OUTLIER -69.68 117.82 11.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.226 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.43 ' CG ' ' HE1' ' A' ' 117' ' ' MET . 0.1 OUTLIER -93.71 149.29 21.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.307 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.405 ' CG1' HG22 ' A' ' 63' ' ' ILE . 10.6 mm -87.62 145.01 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.452 ' CG1' ' HE3' ' A' ' 87' ' ' LYS . 8.1 pt -122.48 -42.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.452 ' HE3' ' CG1' ' A' ' 86' ' ' ILE . 1.1 mttt -128.45 163.09 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.7 t -143.11 125.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 48.2 24.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.56 32.42 83.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -98.54 -27.51 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m 73.5 138.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.1 m -90.66 41.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.292 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -73.21 101.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.431 1.082 . . . . 0.0 109.171 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.74 6.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -44.39 161.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.535 ' O ' ' N ' ' A' ' 99' ' ' SER . 13.9 t -131.17 59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.45 ' O ' ' N ' ' A' ' 100' ' ' GLN . 9.8 t80 56.68 -78.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -37.35 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.3 mt-30 -64.95 -62.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.45 ' CG2' ' O ' ' A' ' 98' ' ' TYR . 8.5 m -53.22 -37.17 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 12.1 mm -48.64 -50.3 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.44 74.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.5 mt -51.54 -41.88 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.42 -47.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.58 -40.22 86.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.96 22.91 10.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.045 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 47.3 p -51.22 -22.32 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.96 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' SER . 10.5 t0 80.58 -151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -42.77 -61.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.45 1.093 . . . . 0.0 110.355 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' THR . . . . . 0.437 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -116.54 170.29 8.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.645 ' CB ' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -134.8 113.05 11.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.406 1.066 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.433 ' N ' HD23 ' A' ' 112' ' ' LEU . 11.9 tt0 -94.1 134.15 36.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.517 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 32.1 mt -119.76 159.97 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -134.74 122.97 22.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.43 ' CG2' ' HD3' ' A' ' 118' ' ' PRO . 27.6 m -129.34 -166.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' MET . . . . . 0.569 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -165.82 55.24 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.569 ' HD3' ' N ' ' A' ' 117' ' ' MET . 18.1 Cg_endo -75.03 169.47 22.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -141.59 -62.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.209 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.33 120.29 4.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.08 172.79 6.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -159.21 151.07 21.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.87 28.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.8 m -94.42 101.67 13.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.636 1.21 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.5 p -73.32 167.58 20.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.564 1.165 . . . . 0.0 110.934 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -99.05 80.15 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -167.12 128.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.043 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.05 93.65 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -163.81 139.63 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.031 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -164.99 152.41 11.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.87 126.58 2.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.53 -90.19 0.47 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 163.32 35.7 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -122.13 143.32 49.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.0 m -129.89 138.06 50.73 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.432 HG23 ' CD1' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -141.25 136.73 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.2 m -108.21 154.64 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.6 mp -137.56 151.59 48.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -132.6 114.09 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -39.2 113.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 t -152.8 28.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 110.474 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.8 p -172.08 -172.14 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 110.076 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.72 -57.97 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.03 -62.19 0.38 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.487 ' CZ ' ' CB ' ' A' ' 112' ' ' LEU . 6.2 m-85 -166.9 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 0.802 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' O ' ' CB ' ' A' ' 74' ' ' ALA . . . 174.87 37.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 38.2 p90 -177.37 -177.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 0.775 . . . . 0.0 110.927 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.9 t -158.49 162.27 37.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.517 ' CD1' ' CG2' ' A' ' 63' ' ' ILE . 1.6 mm? -115.4 177.52 4.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -137.97 151.07 47.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' A' ' 28' ' ' PHE . 1.6 t-80 163.17 168.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.561 ' N ' ' CG ' ' A' ' 27' ' ' HIS . 1.4 t80 173.52 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mt -53.51 95.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.49 ' CG1' ' HD3' ' A' ' 32' ' ' PRO . 98.8 t -89.54 144.15 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CD1' ' HG3' ' A' ' 59' ' ' PRO . 2.7 m-85 -126.94 65.94 65.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.49 ' HD3' ' CG1' ' A' ' 30' ' ' VAL . 18.4 Cg_endo -75.01 164.52 33.18 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' SER . 18.4 Cg_endo -74.93 52.85 3.14 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.58 1.832 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 61.44 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.212 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' PRO . 21.5 t -121.93 128.13 51.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 177.96 171.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.163 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.0 mm -51.21 132.07 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.377 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -57.15 -44.58 83.56 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -178.83 125.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.75 109.32 13.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.437 1.086 . . . . 0.0 109.942 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 135.56 40.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.33 -61.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -178.75 -54.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.82 101.07 8.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.49 127.87 33.85 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.514 1.133 . . . . 0.0 110.241 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -153.04 118.84 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.14 164.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t30 176.34 -55.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.369 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 169.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.75 -105.33 1.49 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.76 176.55 40.79 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -131.25 -65.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 0.803 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -55.76 165.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.429 ' HB3' ' NH1' ' A' ' 54' ' ' ARG . 16.3 ttp-105 -179.62 135.42 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -116.62 -51.45 2.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -148.71 45.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.401 ' O ' ' O ' ' A' ' 58' ' ' GLU . 8.1 mp 67.34 72.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 57' ' ' LEU . 21.6 mt-10 56.45 163.1 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.588 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.99 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' MET . . . . . 0.482 ' O ' ' CG ' ' A' ' 60' ' ' MET . 4.3 ptp -87.81 72.9 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -60.02 84.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.557 ' HB ' ' CE2' ' A' ' 64' ' ' PHE . 1.5 p -123.5 167.35 14.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.465 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.517 ' CG2' ' CD1' ' A' ' 25' ' ' LEU . 1.1 mp -107.33 -63.95 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.557 ' CE2' ' HB ' ' A' ' 62' ' ' THR . 25.3 m-85 57.72 117.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 80' ' ' CYS . 44.4 t -71.81 125.98 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.62 -57.11 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.455 ' HA ' ' CG2' ' A' ' 81' ' ' THR . 23.0 mt-30 -135.73 176.43 8.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.0 t -154.48 113.46 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -39.86 136.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.37 98.25 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.47 33.17 3.7 Favored Glycine 0 CA--C 1.533 1.177 0 O-C-N 124.435 1.085 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.25 -157.91 10.5 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.18 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 73' ' ' PRO . . . -40.19 -46.98 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.07 -55.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.9 mm-40 -65.27 -45.34 84.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.371 1.045 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -45.23 -26.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.247 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.91 6.58 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.432 ' CD1' HG23 ' A' ' 12' ' ' VAL . 1.3 tp -68.37 -177.07 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.459 ' O ' ' CG1' ' A' ' 65' ' ' VAL . 0.1 OUTLIER 179.36 -165.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 108.297 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.455 ' CG2' ' HA ' ' A' ' 67' ' ' GLN . 51.9 p -103.27 134.11 47.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.99 -40.86 2.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 45.6 m-20 -51.89 129.18 26.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 0.745 . . . . 0.0 109.219 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 24.3 ptt-85 -93.9 146.0 24.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.404 ' CG1' HG22 ' A' ' 63' ' ' ILE . 30.0 mm -83.73 132.95 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.467 ' CD1' ' HE3' ' A' ' 87' ' ' LYS . 41.1 pt -111.08 -35.58 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.467 ' HE3' ' CD1' ' A' ' 86' ' ' ILE . 4.9 mttt -135.99 165.44 25.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 91' ' ' GLU . 74.8 t -154.01 118.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.458 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 3.0 m-20 48.31 34.08 4.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.01 29.01 74.26 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.091 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.412 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.8 OUTLIER -112.82 90.68 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 0.794 . . . . 0.0 110.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.411 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . 17.7 m -38.65 115.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.448 HG11 ' CG1' ' A' ' 101' ' ' VAL . 12.1 m -78.43 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 109.375 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.24 126.62 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.4 13.99 82.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.584 1.178 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.411 ' NZ ' ' O ' ' A' ' 92' ' ' SER . 53.5 mttp -97.43 158.96 15.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.522 ' O ' ' N ' ' A' ' 99' ' ' SER . 12.4 t -119.25 60.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.462 ' O ' ' N ' ' A' ' 100' ' ' GLN . 13.3 t80 56.15 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.9 OUTLIER -37.43 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.5 mm-40 -62.53 -55.86 23.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.448 ' CG1' HG11 ' A' ' 93' ' ' VAL . 28.2 m -62.13 -29.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 16.8 mm -58.82 -48.35 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -57.45 -31.64 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.451 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 26.1 mt -66.76 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.2 mt -78.65 -34.52 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -80.44 -26.67 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . 0.552 ' C ' ' OD1' ' A' ' 107' ' ' ASN . 35.9 p30 -98.45 1.45 46.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 0.2 OUTLIER -69.42 -12.69 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.4 t70 81.18 -152.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -55.01 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.13 165.46 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.487 ' CB ' ' CZ ' ' A' ' 21' ' ' PHE . 1.5 tm? -160.48 114.53 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.457 ' N ' HD21 ' A' ' 112' ' ' LEU . 25.7 tt0 -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.408 ' HG ' ' CD1' ' A' ' 112' ' ' LEU . 27.0 mt -125.49 174.88 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.61 123.86 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 34.2 m -117.92 -178.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.41 98.0 33.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.009 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.81 26.17 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.96 -51.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -146.57 -55.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.3 p -44.21 163.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 114.36 89.21 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 151.03 38.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.99 -23.18 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 m -143.23 135.67 27.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 0.0 110.006 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.557 1.16 . . . . 0.0 111.062 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.76 79.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -156.67 115.62 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.27 125.23 5.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.39 89.49 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 0.812 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.87 -56.57 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.84 123.54 6.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.89 -142.48 16.12 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 131.62 14.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' HD3' ' CG2' ' A' ' 116' ' ' VAL . 0.2 OUTLIER -92.61 136.25 33.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -113.35 145.83 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG22 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -137.49 119.86 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.2 m -91.51 139.72 30.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' CD2' ' HB1' ' A' ' 74' ' ' ALA . 5.4 mp -124.13 164.25 19.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 44.1 mttt -133.83 113.3 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.316 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 5.9 ttm-85 -53.53 123.74 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 40.9 p -105.89 -28.19 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.376 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.23 -177.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -41.33 115.2 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 110.201 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.4 105.5 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.57 1.169 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.563 ' CE1' ' HG3' ' A' ' 16' ' ' ARG . 7.0 m-85 -52.8 159.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' PHE . . . -36.65 -92.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.43 1.081 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.483 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.4 p90 -43.9 167.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.2 t -141.47 164.97 28.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -110.83 166.1 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.86 156.22 40.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 67.52 111.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.675 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -160.63 167.5 26.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.74 167.99 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.626 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.1 t -143.85 137.52 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 30' ' ' VAL . 58.1 m-85 -158.06 75.09 3.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HD3' ' CG1' ' A' ' 30' ' ' VAL . 18.0 Cg_endo -75.09 167.29 27.28 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 165.98 30.08 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 110.99 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -86.05 134.23 33.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.216 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 t 68.31 -61.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . -41.64 126.24 2.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.383 1.052 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.52 146.49 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.38 63.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.95 162.99 30.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.4 1.062 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.04 97.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.062 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -129.05 121.06 27.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 62.42 139.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.403 1.064 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' O ' ' O ' ' A' ' 44' ' ' GLU . 16.7 t0 -174.32 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER 51.29 175.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 59.66 150.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.97 163.9 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.473 1.108 . . . . 0.0 109.185 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.6 105.88 0.33 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.3 t30 173.44 125.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.84 161.73 30.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.3 68.49 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.63 -145.71 5.76 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.11 141.2 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -116.51 156.29 27.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -127.72 97.52 4.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 179.89 151.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -166.92 34.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.66 73.17 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.081 . . . . 0.0 109.21 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -140.69 156.95 68.83 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.515 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.92 -71.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.5 mtm 62.14 166.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -167.98 166.55 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.538 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 62.6 m -62.2 165.15 6.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.8 mp -114.38 93.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.538 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 34.1 m-85 -91.42 146.53 23.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 88.1 t -73.64 145.43 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.81 -47.68 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -157.85 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.238 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.17 116.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.93 153.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.82 74.72 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.546 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.24 32.44 2.57 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.56 -152.35 20.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -68.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.483 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -47.13 -44.6 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 76.0 t80 -51.5 -33.43 31.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -81.64 -55.42 4.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.42 -30.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.87 4.66 29.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' CD1' HG22 ' A' ' 12' ' ' VAL . 2.0 tp -51.52 -178.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -168.14 -164.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 p -103.77 131.68 50.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.135 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.45 -41.22 2.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -52.64 124.35 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.15 148.54 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.348 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mp -82.61 131.55 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.621 1.201 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ILE . . . . . 0.494 ' C ' ' CD ' ' A' ' 87' ' ' LYS . 3.9 pt -112.36 -33.03 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.494 ' CD ' ' C ' ' A' ' 86' ' ' ILE . 0.4 OUTLIER -142.43 150.11 40.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.5 ' O ' ' C ' ' A' ' 89' ' ' ASN . 93.3 t -136.32 129.3 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ASN . . . . . 0.5 ' C ' ' O ' ' A' ' 88' ' ' VAL . 0.2 OUTLIER 33.21 44.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.42 51.82 5.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -108.37 -23.5 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER 85.33 111.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' VAL . . . . . 0.455 ' HB ' ' CG1' ' A' ' 101' ' ' VAL . 4.0 m -135.51 53.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.49 -38.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.371 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -126.32 29.45 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -95.83 149.32 21.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.8 166.14 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.516 ' CE1' HD12 ' A' ' 102' ' ' ILE . 19.0 t80 -54.77 -64.02 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.33 -30.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -71.04 0.31 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' VAL . . . . . 0.455 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 33.8 m -50.03 -30.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.516 HD12 ' CE1' ' A' ' 98' ' ' TYR . 4.0 mm -56.6 -47.73 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.53 84.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.35 -29.23 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.43 -44.5 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.64 -29.12 70.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -102.28 11.37 38.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.563 ' OG ' ' CZ ' ' A' ' 21' ' ' PHE . 62.5 p -53.89 -20.09 5.48 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 2.9 t70 81.06 -151.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.8 m -53.58 -51.31 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -109.81 178.88 4.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . 0.525 ' CB ' ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -152.67 109.06 3.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.425 ' N ' HD22 ' A' ' 112' ' ' LEU . 35.4 tt0 -93.34 132.88 37.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LEU . . . . . 0.458 HD13 ' CZ ' ' A' ' 23' ' ' PHE . 10.0 mt -128.82 168.6 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' SER . . . . . 0.456 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 8.7 t -143.49 127.33 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.496 ' CG2' ' HD3' ' A' ' 10' ' ' LYS . 3.4 m -118.34 -168.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.1 mmt -139.77 87.86 12.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' PRO . . . . . 0.481 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.4 Cg_endo -75.06 170.64 19.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.4 tttt -153.2 -77.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -122.64 107.14 11.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.85 167.26 11.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 135.18 164.71 10.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.41 1.069 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 69.76 5.5 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.495 1.787 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.6 t -54.2 156.76 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 m -84.83 145.61 27.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.588 1.18 . . . . 0.0 110.939 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -88.2 144.06 26.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -133.43 138.68 46.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -138.37 129.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 26.3 m -103.15 141.61 35.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.565 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 5.1 mp -130.71 150.13 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 12.6 mttt -110.37 133.29 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.389 1.056 . . . . 0.0 110.323 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -66.59 -178.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.479 HG23 ' HB3' ' A' ' 66' ' ' LYS . 4.1 t -157.73 164.91 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -108.17 -179.75 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.477 HD11 HG21 ' A' ' 101' ' ' VAL . 1.1 mp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 0.7 OUTLIER 61.16 134.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 66' ' ' LYS . 39.9 t -80.96 163.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HB3' HG23 ' A' ' 24' ' ' THR . 1.1 tttp -113.04 -62.24 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HA ' HG22 ' A' ' 81' ' ' THR . 3.2 mt-30 -141.49 170.87 14.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.7 111.93 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -45.27 161.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.97 90.87 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 28.64 3.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.63 -161.34 19.08 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -62.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . . . -45.23 -53.58 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -44.4 -44.87 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.4 mm-40 -71.62 -53.84 12.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.59 -30.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.69 18.39 9.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.612 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.8 tp -71.26 176.16 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 0.807 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 -164.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 108.353 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.555 HG22 ' HA ' ' A' ' 67' ' ' GLN . 47.0 p -103.18 133.03 48.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.43 -23.62 31.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -56.99 126.91 29.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 0.734 . . . . 0.0 109.386 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.553 ' HG2' ' CE1' ' A' ' 64' ' ' PHE . 10.4 mtt180 -93.5 142.35 27.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mm -83.95 134.27 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.509 HD12 ' HE3' ' A' ' 87' ' ' LYS . 28.0 pt -119.2 -39.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.509 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.6 mttt -134.94 161.21 35.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.6 t -150.75 126.16 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 49.99 56.76 7.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.57 26.79 0.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 131.76 55.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.87 108.16 5.0 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.588 1.18 . . . . 0.0 109.968 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.924 HG11 HG12 ' A' ' 101' ' ' VAL . 35.1 m -110.16 46.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.62 -55.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.77 8.25 70.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.561 1.163 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.413 ' HD2' HG12 ' A' ' 93' ' ' VAL . 47.0 mttm -84.51 155.8 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.958 HG22 ' HG3' ' A' ' 100' ' ' GLN . 14.5 t -99.72 157.63 16.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.417 ' HA ' HG22 ' A' ' 101' ' ' VAL . 67.8 t80 -51.79 -29.65 19.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.6 t -72.88 -15.65 61.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.958 ' HG3' HG22 ' A' ' 97' ' ' THR . 10.0 mt-30 -88.89 -59.92 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.924 HG12 HG11 ' A' ' 93' ' ' VAL . 21.3 m -51.08 -31.59 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mm -56.9 -54.52 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.71 -39.01 67.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.41 -44.24 92.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.0 mt -66.71 -31.65 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -81.73 -24.08 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.5 m-80 -97.94 19.51 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -63.15 -12.99 31.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.934 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' THR . 4.9 t0 61.26 -95.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 19.4 m -92.78 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 108' ' ' SER . 0.7 OUTLIER -108.83 170.0 8.32 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.474 HD11 HD21 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -136.36 108.68 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.458 ' N ' HD22 ' A' ' 112' ' ' LEU . 24.8 tt0 -90.5 146.3 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 14' ' ' LEU . 12.7 mt -138.3 -172.16 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -167.92 135.65 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' ARG . 3.6 m -133.44 -163.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.364 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.533 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 2.2 mmt -143.07 103.35 5.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.84 139.12 24.34 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.48 1.779 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.183 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.595 ' HG2' HG22 ' A' ' 116' ' ' VAL . 1.8 ttpt -86.41 138.83 31.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.6 m -128.5 139.3 52.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -142.4 133.77 25.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -102.08 149.08 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 114' ' ' LEU . 5.2 mp -140.26 125.61 18.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.816 ' HG3' HG22 ' A' ' 111' ' ' THR . 0.0 OUTLIER -98.26 117.72 33.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.226 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.604 1.19 . . . . 0.0 110.26 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.523 ' CE1' HD11 ' A' ' 114' ' ' LEU . 15.4 p90 -46.96 174.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 t -147.97 167.05 25.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.611 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.9 mm? -109.88 167.75 9.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.611 ' CG2' HD12 ' A' ' 25' ' ' LEU . 2.2 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.0 158.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.781 HG11 ' O ' ' A' ' 80' ' ' CYS . 58.9 t -92.28 149.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -60.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.81 162.64 31.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.495 HG21 ' CA ' ' A' ' 80' ' ' CYS . 49.5 t -131.93 118.32 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -49.64 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.91 94.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.38 12.14 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.68 -154.09 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -64.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.606 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -42.17 -56.48 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -44.36 -48.11 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -71.66 -53.16 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.53 -30.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.17 7.88 15.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.672 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -68.63 176.56 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.811 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.781 ' O ' HG11 ' A' ' 65' ' ' VAL . 14.6 p -173.45 -155.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 108.259 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.5 p -103.48 132.49 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.21 -50.37 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.5 m-20 -50.46 135.5 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -113.68 145.21 41.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.529 HD12 HG12 ' A' ' 116' ' ' VAL . 1.5 mp -82.47 118.05 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.605 HD12 ' HE3' ' A' ' 87' ' ' LYS . 42.6 pt -105.01 -28.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.605 ' HE3' HD12 ' A' ' 86' ' ' ILE . 24.6 mttt -132.51 166.04 22.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' LYS . 38.9 t -152.32 115.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 73.0 m-20 53.57 32.13 13.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.9 5.16 88.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.679 ' OE1' HD22 ' A' ' 104' ' ' LEU . 4.3 tt0 -95.34 117.05 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 0.813 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 p -64.14 129.3 39.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.583 ' HB ' HG11 ' A' ' 101' ' ' VAL . 2.4 m -81.78 -23.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' VAL . 2.9 mp -40.43 116.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.79 -45.17 2.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 21.9 mttp -57.96 145.79 34.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.446 HG22 ' HG3' ' A' ' 100' ' ' GLN . 8.4 t -89.97 155.13 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.55 ' CE1' HD11 ' A' ' 102' ' ' ILE . 18.1 t80 -42.1 -42.63 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -45.08 93.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HG3' HG22 ' A' ' 97' ' ' THR . 1.9 mt-30 -56.34 -63.85 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.583 HG11 ' HB ' ' A' ' 93' ' ' VAL . 32.7 m -50.71 -42.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 98' ' ' TYR . 2.3 mm -51.08 -49.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.4 94.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.679 HD22 ' OE1' ' A' ' 91' ' ' GLU . 63.5 mt -56.77 -20.52 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.5 mt -92.2 -49.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.55 -41.9 99.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -87.4 10.41 17.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 19.3 t -70.58 -8.57 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.6 t0 81.47 -158.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 m -54.68 -61.37 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.816 HG22 ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -89.48 154.02 20.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.368 1.043 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.765 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -146.45 124.26 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.143 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.765 ' N ' HD22 ' A' ' 112' ' ' LEU . 23.9 tt0 -104.83 136.92 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.336 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 14' ' ' LEU . 9.9 mt -121.75 167.61 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.76 123.24 17.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.899 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.595 HG22 ' HG2' ' A' ' 10' ' ' LYS . 25.2 m -126.57 -175.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 1.1 mmt -131.39 107.94 14.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.638 1.211 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 172.97 15.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.58 1.831 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.0 tptt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.799 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HE2' ' CG2' ' A' ' 116' ' ' VAL . 2.2 ttpt -103.08 140.0 37.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 94.0 m -125.52 139.98 53.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.615 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -141.81 141.92 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 4.9 m -113.1 158.26 20.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.3 mp -143.09 137.97 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 5.2 mttt -121.97 113.98 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.294 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.752 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 4.1 p90 -48.8 171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.5 t -158.3 156.09 30.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.649 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -109.94 161.58 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.92 141.94 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.54 153.33 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HB3' HG23 ' A' ' 24' ' ' THR . 6.9 ttpt -110.46 -71.07 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.02 169.07 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -136.57 122.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -68.33 113.59 6.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.634 1.209 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.99 95.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.71 25.68 4.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.56 -157.41 18.8 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -60.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.72 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -49.93 -56.47 10.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -39.61 -44.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -67.33 -57.17 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.16 -31.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.88 6.08 28.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.615 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -52.08 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.418 ' N ' ' OD2' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -161.36 -170.43 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.0 p -103.17 136.39 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.48 5.09 67.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 80' ' ' CYS . 18.4 m-20 -70.7 138.48 50.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 21.8 ttt180 -93.77 129.22 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.672 HD13 HG12 ' A' ' 116' ' ' VAL . 47.4 mm -82.75 131.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.693 HG21 ' HG3' ' A' ' 117' ' ' MET . 20.3 pt -115.88 -40.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -135.04 164.88 26.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.591 1.182 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.622 HG22 HD23 ' A' ' 114' ' ' LEU . 2.7 t -150.7 100.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.502 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 1.1 m-20 70.56 37.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 15.34 71.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.87 141.86 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 m -81.24 117.92 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.0 m -67.28 -31.81 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.4 mp -50.63 104.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.05 24.1 4.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.524 ' HE2' HD11 ' A' ' 104' ' ' LEU . 34.2 mttp -125.24 170.07 11.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 97' ' ' THR . 5.0 t -132.41 48.77 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 97' ' ' THR . 4.8 t80 66.3 -63.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.503 ' OG ' HG23 ' A' ' 97' ' ' THR . 0.3 OUTLIER -48.27 -26.03 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.916 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 96' ' ' LYS . 40.2 mt-30 -77.98 -67.3 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.519 HG13 ' CD ' ' A' ' 96' ' ' LYS . 16.2 m -50.8 -36.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.13 -48.71 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -61.5 -38.31 86.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.524 HD11 ' HE2' ' A' ' 96' ' ' LYS . 83.8 mt -58.07 -29.83 65.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.647 HG23 ' HG ' ' A' ' 112' ' ' LEU . 19.8 mt -82.51 -46.74 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.55 -26.66 67.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ALA . 46.5 m-80 -107.83 24.14 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.68 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -86.99 -5.42 59.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 81.86 -157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -60.4 -40.61 91.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.147 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.46 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -101.2 155.07 18.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.68 HD23 ' OG ' ' A' ' 108' ' ' SER . 1.1 tm? -147.65 118.98 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.535 ' N ' HD22 ' A' ' 112' ' ' LEU . 2.0 tm-20 -101.23 143.53 31.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.392 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.752 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 13.7 mt -128.78 -169.09 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.39 133.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.672 HG12 HD13 ' A' ' 85' ' ' ILE . 12.2 m -135.34 -163.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.693 ' HG3' HG21 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -143.85 110.24 5.18 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.93 39.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -89.67 147.15 24.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -135.39 134.41 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.382 1.051 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.737 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -139.34 143.86 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.5 m -117.78 146.35 43.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.739 HD21 ' HB2' ' A' ' 74' ' ' ALA . 6.1 mp -128.42 160.86 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.213 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.58 ' HG2' HG22 ' A' ' 111' ' ' THR . 7.0 mttm -123.65 129.04 50.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 23' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.665 ' HE2' HD22 ' A' ' 14' ' ' LEU . 12.2 p90 46.36 178.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 111.075 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.942 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.5 t -158.71 162.24 37.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 110.362 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.548 HD21 ' HE1' ' A' ' 23' ' ' PHE . 1.4 mm? -112.37 169.59 8.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' ' 101' ' ' VAL . 2.6 mp . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 46.5 m-85 -82.47 131.11 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 80' ' ' CYS . 40.4 t -71.18 98.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.942 ' HB3' HG23 ' A' ' 24' ' ' THR . 3.8 tptt -44.35 -52.89 7.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.789 ' HA ' HG22 ' A' ' 81' ' ' THR . 1.3 mt-30 -159.78 -177.73 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.547 HG11 ' HA ' ' A' ' 75' ' ' PHE . 49.2 t -137.79 111.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -46.13 126.73 7.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.379 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 88.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.96 24.44 4.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.96 -169.12 29.61 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.739 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -67.27 -48.92 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.547 ' HA ' HG11 ' A' ' 68' ' ' VAL . 5.5 t80 -50.74 -42.84 57.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.7 mm-40 -67.56 -53.02 31.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.98 -27.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.39 6.8 31.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.737 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -55.56 161.5 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.496 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -134.96 -172.12 2.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.146 . . . . 0.0 108.36 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.789 HG22 ' HA ' ' A' ' 67' ' ' GLN . 33.1 p -103.43 136.12 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.472 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.33 15.37 64.46 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.42 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.405 ' OD2' ' C ' ' A' ' 80' ' ' CYS . 49.9 m-20 -82.46 136.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 14.5 mtp180 -93.85 131.39 39.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.588 HD13 HG12 ' A' ' 116' ' ' VAL . 19.8 mm -82.91 137.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 93' ' ' VAL . 31.9 pt -119.02 -40.59 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.525 ' HE3' HD12 ' A' ' 86' ' ' ILE . 5.2 mttt -129.38 158.87 37.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.644 HG22 HD23 ' A' ' 114' ' ' LEU . 87.2 t -157.07 128.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.402 HD21 HD23 ' A' ' 112' ' ' LEU . 25.9 m120 50.26 27.23 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.82 40.74 73.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.1 -4.09 18.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t 59.0 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.058 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.87 HG11 HG12 ' A' ' 101' ' ' VAL . 11.6 m -93.65 14.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.555 ' H ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -68.07 90.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.18 6.04 24.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.12 -172.95 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 t -123.64 158.73 30.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.473 ' HA ' ' CG2' ' A' ' 101' ' ' VAL . 8.3 t80 -44.84 -55.52 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -46.0 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -68.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.87 HG12 HG11 ' A' ' 93' ' ' VAL . 13.4 m -46.81 -34.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 mm -61.05 -60.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -47.91 -42.05 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.76 -38.04 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -76.32 -19.79 57.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 103' ' ' ALA . 65.2 m-20 -105.52 20.54 18.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.39 1.056 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 20.4 m -62.07 -13.78 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 110' ' ' THR . 11.8 t0 60.05 -96.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 91.2 m -92.66 -63.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.58 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -114.07 161.27 17.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.523 HD13 ' HG ' ' A' ' 114' ' ' LEU . 1.2 tm? -122.22 108.92 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.428 ' N ' HD22 ' A' ' 112' ' ' LEU . 36.7 tt0 -89.27 131.98 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.644 HD23 HG22 ' A' ' 88' ' ' VAL . 29.1 mt -124.48 179.08 5.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -166.79 130.95 2.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 85' ' ' ILE . 15.1 m -129.9 -173.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.608 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -131.26 97.55 19.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 149.19 36.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.066 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -95.37 139.35 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.392 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -124.91 143.67 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.547 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -144.96 123.9 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.674 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 24.5 m -95.5 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 13' ' ' THR . 5.6 mp -141.09 156.95 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 6.7 mttm -130.49 117.02 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 4.6 p90 -46.36 169.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.473 ' C ' HD13 ' A' ' 25' ' ' LEU . 7.1 t -156.38 156.19 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -109.15 169.35 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 98' ' ' TYR . 2.5 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -109.48 157.3 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.722 HG11 ' O ' ' A' ' 80' ' ' CYS . 78.6 t -79.51 149.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -112.64 -64.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.211 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -135.91 162.79 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.337 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -132.31 120.96 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -55.12 116.78 2.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.417 1.073 . . . . 0.0 109.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.69 92.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.65 33.74 2.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.62 -154.91 9.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -67.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -41.46 -50.71 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.02 -45.98 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -69.71 -53.27 19.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.5 -29.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.619 1.199 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.36 3.91 29.03 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.599 1.187 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.547 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.9 tp -54.89 -177.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.624 0.838 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.722 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -172.48 -164.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 p -103.9 133.3 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.12 -32.98 6.12 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 65' ' ' VAL . 42.5 m-20 -60.9 153.14 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' VAL . 1.5 ptt180 -124.8 143.83 50.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.578 HD12 HG12 ' A' ' 116' ' ' VAL . 1.1 mp -82.09 119.35 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.681 HD12 ' HE3' ' A' ' 87' ' ' LYS . 49.9 pt -98.0 -35.59 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.681 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.2 mttt -133.24 161.31 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.549 HG22 HD23 ' A' ' 114' ' ' LEU . 37.9 t -153.83 102.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 91' ' ' GLU . 16.0 m-20 68.06 71.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.32 25.27 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 1.1 mm-40 -120.28 128.24 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 1.9 m -91.31 30.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 92' ' ' SER . 10.3 m 40.63 32.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 92' ' ' SER . 44.1 mm -57.89 99.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.81 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.933 ' HZ1' HD21 ' A' ' 104' ' ' LEU . 26.2 mttt -40.85 124.15 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.421 HG22 ' HG3' ' A' ' 100' ' ' GLN . 6.4 t -76.18 171.9 13.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 63' ' ' ILE . 1.7 t80 -52.81 -33.04 47.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.583 1.177 . . . . 0.0 111.075 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 0.0 110.023 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.421 ' HG3' HG22 ' A' ' 97' ' ' THR . 3.5 mt-30 -66.35 -51.0 61.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 0.0 110.349 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.455 ' HA ' HD12 ' A' ' 104' ' ' LEU . 15.0 m -58.08 -33.79 47.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.7 mm -63.35 -50.13 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.04 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.933 HD21 ' HZ1' ' A' ' 96' ' ' LYS . 88.0 mt -55.8 -31.42 62.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.463 HG13 HG11 ' A' ' 88' ' ' VAL . 30.1 mt -80.7 -50.64 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.219 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.46 -38.15 80.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -97.42 23.85 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 37.6 t -81.01 -7.34 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.6 t0 81.77 -156.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.2 m -57.01 -60.66 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.448 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -90.34 159.84 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.36 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -153.6 127.17 8.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.714 ' N ' HD22 ' A' ' 112' ' ' LEU . 23.7 tt0 -110.38 140.74 44.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.429 1.081 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 12.6 mt -122.32 -176.9 3.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.27 131.34 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 85' ' ' ILE . 22.8 m -131.14 -172.45 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.53 ' HE1' ' HA ' ' A' ' 9' ' ' PRO . 2.5 mmt -139.92 87.95 12.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.85 42.7 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 mttp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.217 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -88.46 147.77 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 m -130.41 138.85 50.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.74 129.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 95.3 m -105.3 151.07 24.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.672 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.5 mp -135.8 152.54 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.206 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.725 ' HG2' HG22 ' A' ' 111' ' ' THR . 22.1 mttt -127.26 118.0 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.642 ' CE1' HD22 ' A' ' 14' ' ' LEU . 5.1 p90 -46.99 169.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -148.89 157.12 43.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -108.83 160.0 16.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.375 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.468 HD13 HG21 ' A' ' 101' ' ' VAL . 2.4 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.93 166.26 11.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.414 HG11 ' O ' ' A' ' 80' ' ' CYS . 53.2 t -95.31 116.42 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -54.5 7.56 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -148.79 171.2 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.09 110.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 3.1 tttp -44.03 127.44 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.38 90.53 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.98 40.0 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.34 -156.6 9.6 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -49.5 -60.81 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -38.75 -34.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -78.23 -60.42 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.22 -32.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.27 4.38 14.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.504 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.6 tp -55.21 145.49 21.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.414 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -131.1 -167.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 108.3 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 133.19 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.6 -23.75 23.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.82 160.86 13.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -133.43 141.72 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.576 HD12 HG12 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -81.75 120.23 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.763 HD12 ' HE3' ' A' ' 87' ' ' LYS . 25.7 pt -102.09 -28.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.763 ' HE3' HD12 ' A' ' 86' ' ' ILE . 11.2 mttt -135.41 158.55 44.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.7 t -143.82 105.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.452 ' ND2' ' OG ' ' A' ' 108' ' ' SER . 55.3 m-20 57.08 31.23 19.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.48 28.7 51.73 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.58 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 0.697 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m 58.59 101.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.802 ' CG1' HG12 ' A' ' 101' ' ' VAL . 24.5 m -99.21 50.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.4 mm -81.48 -61.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.05 40.51 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.643 1.214 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -123.62 161.56 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.48 HG22 ' HG3' ' A' ' 100' ' ' GLN . 1.2 t -110.51 173.87 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.66 ' CE1' HD11 ' A' ' 102' ' ' ILE . 29.0 t80 -50.02 -55.41 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -48.34 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.48 ' HG3' HG22 ' A' ' 97' ' ' THR . 0.7 OUTLIER -53.14 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.802 HG12 ' CG1' ' A' ' 93' ' ' VAL . 35.8 m -51.2 -37.52 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.66 HD11 ' CE1' ' A' ' 98' ' ' TYR . 4.8 mm -57.04 -60.31 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.79 -36.27 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 108' ' ' SER . 48.3 mt -59.15 -37.62 77.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.393 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.55 -42.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.97 -25.84 63.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ALA . 30.7 m-80 -117.09 23.51 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.207 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.732 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.6 OUTLIER -77.38 0.07 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 108' ' ' SER . 11.5 t70 82.98 178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 14.6 m -37.18 -49.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.725 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -99.45 172.48 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.732 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -158.6 108.3 2.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.6 ' N ' HD22 ' A' ' 112' ' ' LEU . 35.8 tt0 -89.39 139.36 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.672 HD12 ' CD1' ' A' ' 14' ' ' LEU . 14.5 mt -128.94 177.78 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 m -153.02 125.22 8.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 110.002 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.576 HG12 HD12 ' A' ' 85' ' ' ILE . 24.4 m -122.61 179.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.487 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -132.71 94.83 20.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.964 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 -178.97 4.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 40.7 tttt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.933 -0.449 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 11' ' ' THR . 13.8 tptt -93.13 149.14 21.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.8 m -135.14 136.27 41.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.24 124.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.641 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 86.1 m -103.75 154.14 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.361 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 114' ' ' LEU . 4.4 mp -135.95 170.61 15.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.702 ' HG2' HG22 ' A' ' 111' ' ' THR . 25.1 mttt -138.47 117.44 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.189 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.62 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 1.4 p90 -53.61 177.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.608 ' C ' HD13 ' A' ' 25' ' ' LEU . 7.6 t -157.77 155.64 30.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.608 HD13 ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -113.28 169.75 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.532 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.1 mt . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -124.66 146.77 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.71 HG11 ' O ' ' A' ' 80' ' ' CYS . 97.8 t -71.88 133.54 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -60.92 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.19 166.3 23.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.385 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.32 115.02 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.13 148.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 4.1 tm-20 -92.46 82.21 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.57 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 104.48 28.34 5.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.064 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.26 -155.61 29.53 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' GLU . 18.8 Cg_endo -74.96 -68.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.556 1.819 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.738 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -46.56 -42.19 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.57 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 69.3 t80 -54.73 -31.66 58.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -84.07 -52.71 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.1 -30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.74 6.12 17.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.571 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -58.25 -177.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.71 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -175.46 -165.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.1 p -103.93 133.68 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.89 -11.25 41.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 65' ' ' VAL . 50.3 m-20 -81.25 137.23 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -104.25 144.92 30.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.384 1.053 . . . . 0.0 110.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.598 HD13 HG12 ' A' ' 116' ' ' VAL . 27.1 mm -84.94 134.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.674 HD13 ' HG2' ' A' ' 117' ' ' MET . 36.2 pt -116.55 -38.63 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.611 ' HE3' HD12 ' A' ' 86' ' ' ILE . 3.0 mttt -133.92 161.27 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.752 HG22 HD23 ' A' ' 114' ' ' LEU . 41.6 t -153.4 124.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.16 36.2 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.29 12.99 52.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.734 ' OE1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -94.59 124.51 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.83 108.91 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.945 HG11 HG12 ' A' ' 101' ' ' VAL . 27.5 m -112.15 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 94' ' ' ILE . 5.2 mp -64.04 -32.41 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.82 27.04 6.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' A' ' 93' ' ' VAL . 54.3 mttp -104.77 177.19 4.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 0.737 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.555 HG22 ' HG3' ' A' ' 100' ' ' GLN . 13.0 t -112.18 -172.34 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -72.42 -57.37 4.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.6 t -51.65 -22.22 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 1.183 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.555 ' HG3' HG22 ' A' ' 97' ' ' THR . 62.7 mt-30 -77.55 -70.73 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.945 HG12 HG11 ' A' ' 93' ' ' VAL . 24.2 m -49.23 -27.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.43 -52.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.47 -33.83 64.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.734 HD22 ' OE1' ' A' ' 91' ' ' GLU . 55.2 mt -63.62 -41.69 98.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.0 mt -71.81 -23.71 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -91.33 -19.17 23.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.8 m-20 -105.77 20.16 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 111' ' ' THR . 0.7 OUTLIER -73.05 -5.74 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 110' ' ' THR . 14.1 t0 62.46 -100.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 17.0 m -92.97 -63.77 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.702 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -98.83 176.08 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -149.91 106.24 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.046 . . . . 0.0 109.318 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.459 ' N ' HD22 ' A' ' 112' ' ' LEU . 22.9 tt0 -82.39 140.71 33.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.78 HD12 HD11 ' A' ' 14' ' ' LEU . 69.8 mt -130.53 -178.92 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m -164.13 131.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.598 HG12 HD13 ' A' ' 85' ' ' ILE . 23.3 m -129.61 -170.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.428 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.674 ' HG2' HD13 ' A' ' 86' ' ' ILE . 2.1 mmt -136.79 95.47 12.35 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 158.91 41.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.382 1.727 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -88.35 147.2 24.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -133.86 138.25 45.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.461 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -140.04 134.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 7.3 m -108.49 149.86 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.2 mp -137.75 143.44 41.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -117.9 115.38 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.737 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.0 p90 -49.22 174.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.675 HG23 ' HB3' ' A' ' 66' ' ' LYS . 2.7 t -157.91 164.92 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.482 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.2 mm? -110.35 177.27 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 101' ' ' VAL . 1.1 mp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 3.0 m-85 58.98 123.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 80' ' ' CYS . 54.8 t -63.66 139.32 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.675 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -86.78 -63.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -146.93 170.7 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.7 t -131.54 123.73 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -70.35 113.15 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 93.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.69 32.71 2.83 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -116.42 -158.44 11.38 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.97 -47.66 4.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.2 mm-40 -66.07 -54.87 20.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.98 -30.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.347 1.029 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 105.95 18.65 11.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.667 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.5 tp -67.4 166.49 14.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.429 ' O ' HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -145.96 -170.5 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 108.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 135.61 45.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.398 1.061 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.09 4.26 64.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.73 137.05 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -94.84 132.48 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.506 HD13 HG12 ' A' ' 116' ' ' VAL . 33.2 mm -82.97 122.89 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.822 ' O ' HG22 ' A' ' 93' ' ' VAL . 26.8 pt -109.51 -47.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.625 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.7 mttt -132.44 167.05 20.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.583 HG12 ' N ' ' A' ' 89' ' ' ASN . 46.9 t -114.25 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' HG12 ' A' ' 88' ' ' VAL . 3.2 p30 -104.61 58.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.391 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.95 38.2 49.0 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.405 1.065 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.414 ' HG3' HD22 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -115.42 -35.02 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.12 128.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 86' ' ' ILE . 1.3 m -100.52 30.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.85 94.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.8 -29.58 12.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.417 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 17.7 mttm -61.51 150.02 37.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 3.0 t -108.06 177.47 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.767 ' CE1' HD11 ' A' ' 102' ' ' ILE . 46.2 t80 -46.79 -65.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -48.41 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.942 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 96' ' ' LYS . 15.0 mt-30 -57.27 -71.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 63' ' ' ILE . 34.4 m -46.56 -44.48 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 98' ' ' TYR . 11.1 mm -44.53 -51.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.58 92.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 91' ' ' GLU . 90.6 mt -53.53 -24.63 13.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.4 mt -86.73 -48.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -59.92 -33.31 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.98 12.87 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 94.5 p -59.35 -22.61 61.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.0 t70 81.41 -151.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 m -55.22 -49.69 71.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.473 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.06 173.99 6.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.8 OUTLIER -159.22 112.52 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.565 ' N ' HD22 ' A' ' 112' ' ' LEU . 54.9 tt0 -97.8 150.61 21.07 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.737 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 13.5 mt -138.22 174.72 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.7 131.84 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 1.038 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.506 HG12 HD13 ' A' ' 85' ' ' ILE . 15.7 m -129.42 -170.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.637 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -135.8 96.53 13.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.78 13.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.577 1.83 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.67 142.03 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -128.6 138.15 52.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.18 128.73 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -98.95 152.56 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.712 ' CD1' HD12 ' A' ' 114' ' ' LEU . 4.9 mp -140.2 121.13 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.755 ' HG3' HG22 ' A' ' 111' ' ' THR . 4.7 mptt -100.13 115.5 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.334 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.14 176.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.645 ' O ' HD13 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -158.18 168.36 27.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -119.51 166.15 13.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.527 HG22 HG12 ' A' ' 85' ' ' ILE . 2.6 mp . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.5 m-30 -101.19 137.41 39.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.859 HG21 ' OD2' ' A' ' 83' ' ' ASP . 5.4 t -56.35 147.74 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -113.67 -35.53 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 12.0 mt-30 -163.53 164.98 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.62 1.2 . . . . 0.0 110.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.88 123.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -64.62 121.62 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.38 94.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.37 25.9 4.49 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.485 1.116 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.25 -166.41 22.96 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.426 1.751 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.685 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.15 -46.37 53.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.79 -45.88 70.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -72.54 -49.41 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.232 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.29 -25.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.42 6.85 26.93 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.536 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.5 tp -68.06 147.76 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.427 ' O ' HG11 ' A' ' 65' ' ' VAL . 18.6 p -142.91 -159.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 108.262 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.4 p -103.72 130.38 51.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.03 -30.08 7.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.859 ' OD2' HG21 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -59.38 128.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 0.79 . . . . 0.0 109.347 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 ptt-85 -94.49 152.87 18.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 63' ' ' ILE . 19.1 mm -91.52 127.05 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.858 HD12 ' HE2' ' A' ' 87' ' ' LYS . 2.7 pt -114.38 -37.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.858 ' HE2' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -144.47 165.96 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.221 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 89' ' ' ASN . 23.3 t -124.26 -122.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.573 ' N ' HG12 ' A' ' 88' ' ' VAL . 73.4 m-20 -80.96 71.74 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.22 26.41 67.68 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.671 ' OE1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -104.91 -176.88 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.7 m -134.91 107.73 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.917 HG11 HG12 ' A' ' 101' ' ' VAL . 10.8 m -110.47 47.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.9 mt -64.79 -61.0 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.382 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.45 20.37 23.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HD2' HG12 ' A' ' 93' ' ' VAL . 44.5 mttm -74.68 162.7 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 100' ' ' GLN . 1.4 t -99.98 161.43 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.559 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 33.7 t80 -50.88 -52.49 41.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 t -49.39 -43.82 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.066 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.415 ' H ' HG23 ' A' ' 97' ' ' THR . 7.3 mt-30 -59.74 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.917 HG12 HG11 ' A' ' 93' ' ' VAL . 18.2 m -48.11 -42.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.38 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.559 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 8.3 mm -51.22 -52.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.87 93.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.213 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.671 HD22 ' OE1' ' A' ' 91' ' ' GLU . 56.6 mt -52.04 -24.69 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.223 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.5 mt -89.26 -49.21 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.53 -32.99 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.25 16.24 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 109.355 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 95.1 p -63.92 -22.33 66.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.2 t0 81.11 -154.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.1 m -53.65 -51.76 62.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.755 HG22 ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -102.28 159.71 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -144.22 111.59 5.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.66 ' N ' HD22 ' A' ' 112' ' ' LEU . 14.6 tt0 -95.21 148.85 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.712 HD12 ' CD1' ' A' ' 14' ' ' LEU . 23.4 mt -138.39 168.89 18.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -147.56 130.21 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.523 HG11 ' OD1' ' A' ' 83' ' ' ASP . 13.6 m -127.14 -178.4 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.623 ' SD ' HD13 ' A' ' 86' ' ' ILE . 57.5 mmm -128.64 102.87 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 158.06 42.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 109.335 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.93 -0.45 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.74 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -113.33 123.11 49.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 m -117.47 155.45 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.834 HG23 ' HB2' ' A' ' 114' ' ' LEU . 1.7 m -141.66 142.53 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -117.22 144.73 44.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.802 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.7 mp -127.68 142.94 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.677 ' HA ' HG22 ' A' ' 111' ' ' THR . 15.1 mmtt -105.92 114.82 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.079 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CE1' HD22 ' A' ' 14' ' ' LEU . 8.8 p90 -179.02 164.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.656 HG23 ' HB3' ' A' ' 66' ' ' LYS . 12.4 t -154.82 161.23 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -111.18 175.51 5.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.535 HG21 HG13 ' A' ' 85' ' ' ILE . 7.8 mm . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 84' ' ' ARG . 21.2 m-85 54.69 107.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 80' ' ' CYS . 87.2 t -51.87 156.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.656 ' HB3' HG23 ' A' ' 24' ' ' THR . 4.0 tptm -112.94 -56.43 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.533 ' CG ' HG22 ' A' ' 24' ' ' THR . 1.0 OUTLIER -136.28 170.08 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 67' ' ' GLN . 8.3 t -153.83 117.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -56.35 123.37 14.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -71.2 83.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 122.87 4.44 8.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -81.32 -163.05 30.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -53.24 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.802 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -53.13 -53.89 43.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 3.0 t80 -48.13 -53.58 16.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 4.2 mm-40 -59.5 -52.98 63.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.445 ' HB1' ' HB ' ' A' ' 12' ' ' VAL . . . -42.1 -28.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.13 22.85 6.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.756 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.1 tp -82.58 -170.67 3.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 0.747 . . . . 0.0 109.374 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.73 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER 178.15 -165.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 108.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.427 ' CG2' ' HA ' ' A' ' 67' ' ' GLN . 4.7 p -103.16 130.68 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.19 -32.15 7.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.478 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -52.04 131.21 31.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 3.8 ttt180 -93.77 133.91 36.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.226 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.594 HD13 HG12 ' A' ' 116' ' ' VAL . 18.8 mm -82.62 137.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.669 HD12 ' HE3' ' A' ' 87' ' ' LYS . 50.4 pt -114.02 -34.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.669 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.35 162.96 31.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.8 118.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 45.2 m-20 46.33 55.91 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.41 21.94 6.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.16 82.27 1.98 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 p -40.17 131.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.618 HG12 HG11 ' A' ' 101' ' ' VAL . 2.8 m -64.42 -31.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 mp -46.3 111.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.59 14.72 26.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -122.01 163.93 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 97' ' ' THR . 7.0 t -113.45 51.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.613 ' O ' HG22 ' A' ' 101' ' ' VAL . 35.7 t80 58.01 -75.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -37.94 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.019 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -64.68 -63.14 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.618 HG11 HG12 ' A' ' 93' ' ' VAL . 35.3 m -55.69 -31.84 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.9 mm -54.53 -46.19 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -60.6 -39.21 87.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.43 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 80.4 mt -59.14 -36.55 75.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 112' ' ' LEU . 7.7 mt -73.04 -36.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.38 -31.47 60.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 103' ' ' ALA . 37.2 m-20 -93.43 21.25 6.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 77.9 p -52.31 -20.22 2.58 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.373 1.046 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.442 ' CG ' ' N ' ' A' ' 110' ' ' THR . 3.7 t70 60.34 -91.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 55.0 m -91.57 -61.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.677 HG22 ' HA ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -126.24 168.03 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.629 HD13 ' HG ' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -126.79 107.82 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -83.08 130.79 35.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.834 ' HB2' HG23 ' A' ' 12' ' ' VAL . 38.8 mt -127.19 169.45 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -155.07 129.98 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.74 HG22 ' HG2' ' A' ' 10' ' ' LYS . 7.9 m -124.04 -168.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.49 ' HG2' HD13 ' A' ' 86' ' ' ILE . 3.6 mmt -148.35 89.16 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.04 159.35 41.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.802 0 N-CA-C 110.945 -0.444 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' CD ' ' HG3' ' A' ' 118' ' ' PRO . 1.7 tttt -94.82 123.56 38.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -111.31 148.24 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.699 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -135.03 134.91 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -107.11 135.76 48.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.2 mp -120.75 135.59 55.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.1 120.46 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.621 1.201 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.474 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.5 p90 -179.19 160.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.656 HG22 ' CG ' ' A' ' 67' ' ' GLN . 2.8 t -140.01 161.09 38.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 24' ' ' THR . 1.1 mm? -110.03 177.65 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 101' ' ' VAL . 2.3 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 39.7 m-85 -162.54 145.79 11.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.614 HG11 ' O ' ' A' ' 80' ' ' CYS . 86.8 t -73.99 141.73 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HB3' ' CG2' ' A' ' 24' ' ' THR . 0.0 OUTLIER -108.77 -30.71 8.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.365 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.698 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.7 pt20 -155.28 179.95 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 67' ' ' GLN . 25.9 t -160.53 127.17 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.468 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 13.0 tptt -69.73 113.51 7.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 98.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.58 25.21 4.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.386 1.054 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.58 -160.39 16.08 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 22' ' ' GLY . 18.0 Cg_endo -75.12 -65.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -42.57 -44.77 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.05 -55.4 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.5 -46.51 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.378 1.049 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -48.32 -24.33 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.6 1.188 . . . . 0.0 109.229 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.14 10.35 30.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.699 ' CD1' HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -75.75 170.25 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 0.77 . . . . 0.0 109.187 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.614 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -164.7 -158.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 m -104.05 152.25 22.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.296 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.66 -22.04 15.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.77 136.28 57.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -95.28 149.19 21.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.525 HD13 HG12 ' A' ' 116' ' ' VAL . 36.3 mm -94.57 127.07 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.987 HD12 ' HE3' ' A' ' 87' ' ' LYS . 4.4 pt -110.9 -38.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.987 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -146.25 164.02 33.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 89' ' ' ASN . 46.4 t -109.99 -115.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.572 ' N ' HG12 ' A' ' 88' ' ' VAL . 5.1 p30 -105.19 53.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.78 34.98 10.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HB3' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -135.22 107.18 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.0 m -58.74 119.09 6.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 93' ' ' VAL . 12.4 m -83.54 52.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.3 mm -102.63 119.84 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.53 54.81 4.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.531 ' CD ' HG13 ' A' ' 101' ' ' VAL . 40.7 mttp -129.33 166.23 19.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 97' ' ' THR . 4.9 t -134.0 49.85 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.459 ' HA ' ' CG2' ' A' ' 101' ' ' VAL . 5.2 t80 67.56 -61.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.2 OUTLIER -47.76 -30.74 4.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -64.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.66 HG21 HD11 ' A' ' 63' ' ' ILE . 7.6 m -53.04 -40.42 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 mm -46.78 -49.56 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.55 -43.66 76.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 91' ' ' GLU . 29.6 mt -53.51 -36.47 61.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.403 HG12 HD11 ' A' ' 112' ' ' LEU . 7.8 mt -74.26 -33.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.85 -16.89 52.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.204 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.5 m-80 -79.16 -14.56 59.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 0.1 OUTLIER -49.04 -58.02 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 40.1 t0 70.77 -69.8 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.2 m -94.21 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 108' ' ' SER . 0.6 OUTLIER -126.09 148.69 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.38 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 108' ' ' SER . 0.8 OUTLIER -123.0 117.42 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.359 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 89' ' ' ASN . 26.5 tt0 -99.28 143.68 29.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.543 ' HB2' HG23 ' A' ' 12' ' ' VAL . 10.2 mt -137.88 165.6 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 15.0 m -142.27 125.96 16.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.525 HG12 HD13 ' A' ' 85' ' ' ILE . 19.5 m -121.59 -167.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.553 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 5.3 mmt -147.51 89.86 5.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.445 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -74.96 150.55 38.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.219 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.676 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.8 OUTLIER -103.43 119.25 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.4 m -96.53 134.4 39.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.21 . . . . 0.0 110.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.12 124.62 60.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.0 m -97.12 148.9 22.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.523 HD13 HD13 ' A' ' 112' ' ' LEU . 5.8 mp -134.36 156.07 49.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.782 ' HG2' HG22 ' A' ' 111' ' ' THR . 4.1 mttm -121.45 120.97 36.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.5 p90 -59.88 169.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 25' ' ' LEU . 8.7 t -158.1 170.2 22.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.665 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -121.29 158.72 27.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.07 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.555 HG22 HG12 ' A' ' 85' ' ' ILE . 2.1 mp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -136.56 123.79 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.732 HG11 ' O ' ' A' ' 80' ' ' CYS . 87.5 t -49.78 142.93 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -107.81 -48.47 3.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 161.44 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 80' ' ' CYS . 9.8 t -134.78 115.0 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 1.3 tmtt? -49.96 106.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 86.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.511 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 117.07 12.39 8.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.46 1.1 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.24 -156.91 32.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.373 1.722 . . . . 0.0 110.978 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -43.65 -51.47 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 4.3 t80 -47.48 -49.02 26.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 75' ' ' PHE . 2.9 mm-40 -70.87 -51.37 26.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.12 -27.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 113.54 11.69 12.76 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.0 tp -73.92 159.07 33.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 0.717 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.732 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -156.15 -160.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 108.382 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.7 p -103.51 137.95 40.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.23 -20.5 42.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.696 ' O ' HG23 ' A' ' 65' ' ' VAL . 43.8 m-20 -72.69 125.6 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 1.8 ptt180 -94.01 150.34 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.555 HG12 HG22 ' A' ' 63' ' ' ILE . 24.1 mm -88.35 134.06 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.677 HD12 ' HE3' ' A' ' 87' ' ' LYS . 41.5 pt -116.84 -38.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.677 ' HE3' HD12 ' A' ' 86' ' ' ILE . 10.0 mttt -132.99 160.11 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 51.2 t -146.28 110.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.0 m120 61.74 17.14 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.7 -9.68 57.11 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.11 121.89 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 110.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 p -74.36 112.17 10.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 m -51.64 -22.91 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 94' ' ' ILE . 26.7 mm -48.55 116.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.1 -39.65 2.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -67.64 162.24 24.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.9 160.93 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.453 ' CE1' HD11 ' A' ' 102' ' ' ILE . 29.5 t80 -38.18 -62.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -55.23 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.943 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -51.28 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.629 1.206 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 98' ' ' TYR . 30.9 m -47.38 -38.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.453 HD11 ' CE1' ' A' ' 98' ' ' TYR . 11.6 mm -59.99 -54.43 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.73 69.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.1 mt -51.42 -33.19 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.69 -46.54 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.92 -33.94 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.242 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -105.79 21.23 17.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 83.1 p -56.71 -20.4 21.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.8 t0 81.78 -152.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -47.24 -60.2 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.782 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -107.54 -175.72 2.87 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.625 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -152.13 111.12 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.625 ' N ' HD22 ' A' ' 112' ' ' LEU . 19.6 tt0 -94.13 135.64 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' A' ' 14' ' ' LEU . 29.0 mt -127.02 -173.68 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -166.08 131.59 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.676 HG22 ' HG2' ' A' ' 10' ' ' LYS . 11.2 m -127.4 -164.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.2 mmt -141.57 87.92 10.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.5 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 17.9 Cg_endo -75.06 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.798 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HE2' ' CG2' ' A' ' 116' ' ' VAL . 7.3 tttt -90.56 152.16 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 m -135.37 131.18 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.605 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.37 125.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.7 m -101.1 153.14 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.556 HD11 HD12 ' A' ' 114' ' ' LEU . 4.4 mp -135.72 156.86 48.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -131.71 115.65 16.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.351 1.032 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.714 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.2 p90 -45.92 173.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.453 ' O ' HD13 ' A' ' 25' ' ' LEU . 1.5 t -153.87 170.9 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -116.53 162.47 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.8 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -111.39 132.97 54.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 ' O ' ' A' ' 80' ' ' CYS . 80.7 t -51.87 156.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.9 OUTLIER -122.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.11 162.78 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 23.9 t -134.58 108.63 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -40.15 121.95 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.67 76.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.446 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 116.38 32.22 1.68 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -107.3 -154.78 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -75.02 -68.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.586 1.835 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -44.25 -38.51 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.446 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 25.0 t80 -60.45 -40.35 90.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 2.3 mm-40 -69.13 -49.09 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.72 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.38 15.42 38.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.339 1.025 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.605 ' CD1' HG21 ' A' ' 12' ' ' VAL . 3.3 tp -64.52 154.59 35.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.635 ' O ' HG11 ' A' ' 65' ' ' VAL . 16.6 p -141.91 -164.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 157.48 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.54 -31.15 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.6 ' O ' HG23 ' A' ' 65' ' ' VAL . 25.8 m-20 -59.04 128.87 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 19.8 ptt180 -94.62 148.81 21.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.506 HD13 HG12 ' A' ' 116' ' ' VAL . 36.0 mm -82.41 129.81 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.819 HG21 ' HG3' ' A' ' 117' ' ' MET . 34.6 pt -111.86 -34.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.696 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.27 163.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 87' ' ' LYS . 56.0 t -157.64 104.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.46 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 0.9 OUTLIER 58.96 39.96 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.3 21.7 9.03 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.554 1.158 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -15.4 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 0.731 . . . . 0.0 110.233 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t 61.33 105.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 93' ' ' VAL . 13.8 m -89.77 48.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.1 mm -95.01 102.93 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.37 -45.83 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.587 1.179 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -42.65 151.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 11.4 t -85.47 -154.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.445 ' CE1' HD11 ' A' ' 102' ' ' ILE . 22.6 t80 -83.59 -51.97 6.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -44.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.06 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -52.1 -66.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 63' ' ' ILE . 34.8 m -52.89 -38.05 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.445 HD11 ' CE1' ' A' ' 98' ' ' TYR . 3.7 mm -58.42 -46.83 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.403 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -62.25 -32.71 73.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.419 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 10.5 mt -64.95 -29.34 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.612 HG23 ' HG ' ' A' ' 112' ' ' LEU . 13.0 mt -84.3 -36.57 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -78.9 -24.1 44.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.524 ' OD1' ' C ' ' A' ' 107' ' ' ASN . 41.3 p30 -99.65 -0.37 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.689 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.5 OUTLIER -71.42 -6.33 39.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.9 t70 76.84 -156.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.5 m -53.9 -60.73 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 155.49 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.412 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.689 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.7 OUTLIER -152.2 120.33 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.574 ' N ' HD22 ' A' ' 112' ' ' LEU . 39.8 tt0 -98.25 148.23 23.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.714 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 24.5 mt -131.53 -179.48 5.39 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -163.06 125.26 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.648 HG23 ' HD3' ' A' ' 118' ' ' PRO . 10.3 m -125.26 -174.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.819 ' HG3' HG21 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -144.9 82.29 10.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.638 1.211 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.648 ' HD3' HG23 ' A' ' 116' ' ' VAL . 18.4 Cg_endo -74.95 -178.19 3.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.593 1.839 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.09 -0.388 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.55 ' CD ' ' CG2' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -105.61 128.21 53.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.5 m -116.95 130.78 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.584 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -138.46 143.84 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 3.7 m -111.43 155.42 23.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.632 HD11 HD12 ' A' ' 114' ' ' LEU . 5.5 mp -139.6 130.5 26.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.498 ' HG3' ' CG2' ' A' ' 111' ' ' THR . 0.0 OUTLIER -97.73 113.68 25.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 110' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.686 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 3.3 p90 -45.88 170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.73 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.559 HG22 ' HG3' ' A' ' 67' ' ' GLN . 14.0 t -145.48 162.31 37.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.539 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -109.35 172.84 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 110.254 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.655 HG22 HG12 ' A' ' 85' ' ' ILE . 2.7 mp . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.0 m-85 -121.79 130.48 53.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.629 1.205 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 83' ' ' ASP . 80.4 t -51.76 147.45 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HB3' HG23 ' A' ' 24' ' ' THR . 6.6 tttp -117.5 -49.15 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.067 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.559 ' HG3' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -142.14 167.26 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.46 114.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 1.5 tptp -57.88 115.98 3.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 92.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.44 19.08 7.23 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.401 1.063 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.72 -159.78 27.75 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.33 -47.36 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.86 -46.27 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.5 mm-40 -73.23 -50.19 23.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.186 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -45.48 -26.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 103.02 21.05 10.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.584 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -79.17 162.96 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 0.811 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.633 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -150.53 -160.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.33 160.89 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.6 62.54 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.0 m-20 -86.69 121.76 29.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 0.812 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 19.8 ptt180 -94.0 150.11 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.238 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.655 HG12 HG22 ' A' ' 63' ' ' ILE . 13.3 mm -90.89 141.01 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.218 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.861 ' O ' HG22 ' A' ' 93' ' ' VAL . 6.7 pt -121.53 -41.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.608 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.7 mttt -125.49 161.53 26.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' GLU . 38.7 t -150.73 118.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 48.39 27.74 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.41 33.13 85.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.429 1.081 . . . . 0.0 111.077 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -108.12 -7.18 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 0.0 110.251 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m 62.46 144.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.053 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 86' ' ' ILE . 10.5 m -100.43 -25.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.8 mp -51.72 122.48 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.07 -23.18 36.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.69 ' HE2' HD11 ' A' ' 104' ' ' LEU . 36.0 mttp -81.3 156.83 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 97' ' ' THR . 13.3 t -114.8 62.38 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.543 ' O ' HG22 ' A' ' 101' ' ' VAL . 24.0 t80 55.53 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.393 1.058 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -35.61 -34.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 11.6 mt-30 -63.81 -57.39 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 98' ' ' TYR . 13.9 m -63.21 -31.32 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.438 HD11 ' CE1' ' A' ' 98' ' ' TYR . 14.0 mm -54.83 -49.91 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -56.17 -44.89 79.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.69 HD11 ' HE2' ' A' ' 96' ' ' LYS . 47.6 mt -52.13 -42.9 63.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.7 mt -67.22 -45.33 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.221 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.02 -30.19 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 103' ' ' ALA . 34.5 m-80 -113.65 28.19 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.801 ' OG ' HD23 ' A' ' 112' ' ' LEU . 1.9 m -77.01 -0.1 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.05 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 108' ' ' SER . 5.6 t70 84.15 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 88.1 m -41.05 -36.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.609 1.193 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.498 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -116.3 177.49 4.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.372 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.801 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -156.49 111.94 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.687 ' N ' HD22 ' A' ' 112' ' ' LEU . 25.7 tt0 -90.28 128.53 36.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.686 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 28.6 mt -108.28 172.09 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -149.88 117.42 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.601 HG23 ' CD ' ' A' ' 118' ' ' PRO . 34.0 m -130.8 174.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.671 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -141.58 49.25 1.4 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.671 ' HD3' ' N ' ' A' ' 117' ' ' MET . 18.5 Cg_endo -74.91 160.19 40.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.719 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -126.82 119.22 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 m -96.87 129.74 44.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.657 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -127.64 141.87 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 39.8 m -110.01 147.48 33.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.603 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.8 mp -133.81 160.47 37.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.755 ' HG2' HG22 ' A' ' 111' ' ' THR . 14.7 mttt -129.04 120.83 26.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LYS . 5.3 ttt180 . . . . . 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.413 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.679 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.2 p90 -51.09 172.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.546 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -158.03 160.49 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -110.35 176.24 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.536 HG22 HG12 ' A' ' 85' ' ' ILE . 2.5 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 84' ' ' ARG . 31.7 m-85 -135.42 139.34 44.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.645 HG11 ' O ' ' A' ' 80' ' ' CYS . 40.1 t -66.07 138.88 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HD2' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -93.42 -54.65 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -151.68 172.38 16.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.473 HG21 ' HA ' ' A' ' 80' ' ' CYS . 76.6 t -131.83 127.68 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 30.0 tptt -69.55 113.92 7.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.68 91.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.24 28.03 3.72 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.574 1.171 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.62 -160.72 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -62.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -44.93 -51.7 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -48.12 -46.75 34.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -71.61 -51.97 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -44.19 -27.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' NZ ' ' A' ' 10' ' ' LYS . . . 105.06 23.95 7.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.657 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -82.96 165.64 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.645 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -156.12 -160.8 1.04 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 0.0 108.375 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 156.42 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.61 -22.97 14.19 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -70.23 131.59 44.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 64' ' ' PHE . 3.2 mtm180 -100.06 149.35 23.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.536 HG12 HG22 ' A' ' 63' ' ' ILE . 15.0 mm -84.3 137.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.68 ' O ' HG22 ' A' ' 93' ' ' VAL . 20.4 pt -120.88 -40.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.569 ' O ' HG23 ' A' ' 88' ' ' VAL . 4.0 mttt -129.7 158.93 38.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 87' ' ' LYS . 54.1 t -157.58 137.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 m120 45.11 40.84 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.391 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.76 34.02 50.09 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -116.28 160.08 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.225 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -95.72 102.67 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 86' ' ' ILE . 12.2 m -92.16 37.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.86 87.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.09 -38.09 2.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -44.59 153.48 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 100' ' ' GLN . 5.2 t -95.36 149.77 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.988 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 68.7 t80 -39.26 -46.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -52.1 -44.29 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 97' ' ' THR . 47.8 mt-30 -61.71 -68.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.531 HG12 ' CG1' ' A' ' 93' ' ' VAL . 11.2 m -46.9 -39.67 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.988 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 2.0 mm -50.39 -48.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.17 87.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 mt -47.7 -38.02 14.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 47.7 mt -74.69 -49.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -58.07 -23.58 55.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -110.24 16.77 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 77.2 p -61.97 -15.79 46.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 75.23 -157.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -46.36 -61.28 1.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.755 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -95.41 176.0 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.628 1.205 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -155.0 109.6 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.635 ' N ' HD22 ' A' ' 112' ' ' LEU . 30.6 tt0 -92.79 138.82 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.679 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 18.3 mt -126.88 177.26 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -160.12 132.82 6.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.719 HG22 ' HG2' ' A' ' 10' ' ' LYS . 10.9 m -134.16 -175.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.65 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -125.99 86.18 58.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.595 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.16 164.26 33.41 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.378 1.725 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.954 -0.441 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 116' ' ' VAL . 4.9 tttt -93.87 128.2 40.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -117.7 146.66 43.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -141.9 129.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.35 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -98.98 148.35 24.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' CE1' ' A' ' 23' ' ' PHE . 5.4 mp -134.42 156.92 47.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.64 ' HG2' HG22 ' A' ' 111' ' ' THR . 6.1 mttp -126.94 123.23 36.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.683 ' CE1' HD22 ' A' ' 14' ' ' LEU . 18.0 p90 -48.06 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.79 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.552 HG22 ' CG ' ' A' ' 67' ' ' GLN . 12.7 t -141.1 162.34 35.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.609 1.193 . . . . 0.0 110.385 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.3 mm? -108.39 176.54 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -140.92 141.33 34.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 80' ' ' CYS . 71.7 t -67.39 149.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -119.1 -44.7 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.552 ' CG ' HG22 ' A' ' 24' ' ' THR . 1.1 pp0? -140.09 163.52 32.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' GLU . 12.7 t -137.39 107.93 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 3.6 tmtt? -42.39 98.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' VAL . 6.8 tt0 -59.27 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.553 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.59 24.3 5.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.22 -150.14 13.59 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -68.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -43.29 -45.12 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.553 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 16.0 t80 -52.13 -50.87 60.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.53 -49.82 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.54 -23.02 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.74 21.82 20.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.654 ' CD1' HG21 ' A' ' 12' ' ' VAL . 3.1 tp -70.04 163.02 27.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.625 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -148.5 -164.82 2.11 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 m -104.29 156.9 17.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.96 -19.77 28.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -64.89 153.15 41.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.781 . . . . 0.0 109.307 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.34 135.87 53.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 116' ' ' VAL . 1.4 mp -82.5 118.42 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.739 HD12 ' HE3' ' A' ' 87' ' ' LYS . 34.5 pt -99.36 -29.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.739 ' HE3' HD12 ' A' ' 86' ' ' ILE . 19.7 mttt -130.17 165.46 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.599 HG12 ' CG ' ' A' ' 89' ' ' ASN . 77.2 t -155.52 117.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.197 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.599 ' CG ' HG12 ' A' ' 88' ' ' VAL . 0.2 OUTLIER 39.09 57.38 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 39.96 36.4 0.82 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' VAL . 3.4 tm-20 -108.5 -26.53 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.27 128.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 93' ' ' VAL . 8.7 m -109.53 54.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.08 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.65 -36.26 4.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -44.34 136.96 3.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 0.756 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -88.63 158.4 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.621 ' CE1' HD11 ' A' ' 102' ' ' ILE . 14.8 t80 -40.7 -54.34 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -53.06 -44.0 67.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.939 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -61.49 -65.58 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.456 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 18.4 m -48.02 -46.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.366 1.041 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.621 HD11 ' CE1' ' A' ' 98' ' ' TYR . 2.4 mm -42.67 -46.09 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.1 -38.21 50.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 46.7 mt -73.84 -46.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -61.52 -27.32 68.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -101.72 8.63 41.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 90.6 p -60.23 -14.68 18.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.1 t70 79.72 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 m -51.95 -59.96 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -92.95 165.48 12.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -148.88 109.97 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 0.0 109.38 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.627 ' N ' HD22 ' A' ' 112' ' ' LEU . 28.9 tt0 -95.12 139.94 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' A' ' 14' ' ' LEU . 11.7 mt -128.77 176.46 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 m -153.5 123.8 7.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 85' ' ' ILE . 17.6 m -124.52 176.68 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.413 ' HG2' ' C ' ' A' ' 116' ' ' VAL . 1.5 mmt -133.24 90.07 31.26 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.467 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 169.48 22.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.747 . . . . 0.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.5 tptt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.646 ' HD3' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -120.62 132.42 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -103.82 146.73 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.77 128.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.182 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 36.1 m -107.96 159.16 16.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.454 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.0 mp -141.1 149.24 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' HG22 ' A' ' 111' ' ' THR . 1.1 mmmm -131.92 113.68 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' CA ' ' HD2' ' A' ' 73' ' ' PRO . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.821 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 5.3 p90 -145.48 172.77 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.573 HG23 ' HB3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -156.64 157.6 35.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.51 179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.491 HG21 HG12 ' A' ' 85' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.463 ' N ' HG22 ' A' ' 63' ' ' ILE . 15.5 m-85 55.52 112.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 83' ' ' ASP . 29.1 t -54.74 132.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -75.49 -62.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.608 1.192 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -151.14 178.5 9.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.74 131.14 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -76.39 136.34 39.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 94.88 7.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.4 37.51 0.92 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.56 -168.93 13.11 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.87 -58.81 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -40.88 -50.4 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.4 mm-40 -62.84 -54.82 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -40.5 -32.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.43 9.54 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.537 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.4 tp -66.74 160.75 25.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.55 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -157.81 -162.05 1.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.29 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.0 p -102.75 130.86 49.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.17 -27.63 11.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 65' ' ' VAL . 20.1 m-20 -67.15 122.8 18.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.448 ' O ' HG12 ' A' ' 116' ' ' VAL . 8.1 ptp180 -94.32 151.24 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 116' ' ' VAL . 17.4 mm -88.02 138.0 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.712 ' O ' HG22 ' A' ' 93' ' ' VAL . 10.3 pt -117.39 -35.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HE3' ' CG1' ' A' ' 86' ' ' ILE . 1.4 mttt -134.37 163.9 28.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' GLU . 77.3 t -148.21 124.9 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 45.18 27.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.24 97.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -102.19 -6.01 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 110.351 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t 58.27 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 86' ' ' ILE . 11.4 m -99.27 26.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mm -62.82 -33.18 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.99 36.6 3.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -122.95 155.39 36.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.721 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.56 168.04 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.596 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 55.4 t80 -49.62 -61.42 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -34.91 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -69.68 -72.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.661 HG12 ' CG1' ' A' ' 93' ' ' VAL . 33.6 m -47.18 -38.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.225 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.596 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 8.3 mm -47.52 -54.88 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -58.51 -44.24 89.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.3 mt -52.98 -37.31 61.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 mt -74.69 -46.72 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -64.44 -24.48 67.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.7 m-80 -113.97 25.53 11.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.613 ' OG ' HD23 ' A' ' 112' ' ' LEU . 3.3 m -78.23 -12.53 60.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.925 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 110' ' ' THR . 10.8 t70 75.37 -175.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 26.3 m -37.66 -61.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.481 HG22 ' CD ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -86.52 162.87 17.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.613 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -159.93 109.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.568 ' N ' HD22 ' A' ' 112' ' ' LEU . 31.1 tt0 -90.18 131.07 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.821 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 34.5 mt -114.23 166.17 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 1.1 m -143.95 127.4 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.977 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.68 HG23 ' HD3' ' A' ' 118' ' ' PRO . 35.4 m -135.09 -167.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.204 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.595 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -163.98 54.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.68 ' HD3' HG23 ' A' ' 116' ' ' VAL . 17.8 Cg_endo -75.09 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.4 tttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.333 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HG2' HG23 ' A' ' 116' ' ' VAL . 14.0 tptt -132.35 142.46 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 95.0 m -127.97 139.79 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.342 1.026 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.65 122.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 32.9 m -96.99 158.04 15.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 114' ' ' LEU . 4.0 mp -144.38 164.04 31.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' HA ' HG22 ' A' ' 111' ' ' THR . 13.6 mttt -123.85 129.78 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 110.235 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 68' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.584 ' HE2' HD11 ' A' ' 25' ' ' LEU . 1.2 p90 -168.22 170.39 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.693 HG22 ' HG2' ' A' ' 67' ' ' GLN . 2.5 t -144.88 162.21 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.584 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.9 mm? -109.72 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.666 HG22 HG12 ' A' ' 85' ' ' ILE . 2.7 mp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 71.2 m-85 -84.33 124.96 31.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 83' ' ' ASP . 41.4 t -54.4 123.69 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 0.0 109.393 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.615 ' HB3' HG23 ' A' ' 24' ' ' THR . 8.9 tptt -77.29 -55.15 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.693 ' HG2' HG22 ' A' ' 24' ' ' THR . 2.5 pt20 -149.5 -179.64 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 18.9 t -145.8 110.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -46.22 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -114.92 88.29 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.85 2.47 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 -167.33 20.24 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -57.73 -44.96 86.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.22 -44.54 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.6 mm-40 -71.67 -49.4 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -43.15 -27.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.92 11.67 22.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.573 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.8 tp -64.5 -176.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 0.724 . . . . 0.0 109.378 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.832 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -178.29 -161.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 108.268 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -103.75 133.16 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.32 -27.17 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.839 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -69.68 117.82 11.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.226 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -93.71 149.29 21.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.307 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 63' ' ' ILE . 10.6 mm -87.62 145.01 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.526 HD12 ' HE3' ' A' ' 87' ' ' LYS . 8.1 pt -122.48 -42.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.526 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.1 mttt -128.45 163.09 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.7 t -143.11 125.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 48.2 24.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.56 32.42 83.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -98.54 -27.51 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m 73.5 138.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.974 HG12 HG11 ' A' ' 101' ' ' VAL . 5.1 m -90.66 41.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -73.21 101.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.431 1.082 . . . . 0.0 109.171 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.74 6.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -44.39 161.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 97' ' ' THR . 13.9 t -131.17 59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.588 ' O ' HG22 ' A' ' 101' ' ' VAL . 9.8 t80 56.68 -78.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -37.35 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.3 mt-30 -64.95 -62.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.974 HG11 HG12 ' A' ' 93' ' ' VAL . 8.5 m -53.22 -37.17 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 102' ' ' ILE . 12.1 mm -48.64 -50.3 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.44 74.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.5 mt -51.54 -41.88 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.42 -47.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.58 -40.22 86.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.96 22.91 10.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.045 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.485 ' CB ' HD23 ' A' ' 112' ' ' LEU . 47.3 p -51.22 -22.32 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.96 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' SER . 10.5 t0 80.58 -151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -42.77 -61.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.45 1.093 . . . . 0.0 110.355 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -116.54 170.29 8.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -134.8 113.05 11.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.406 1.066 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.54 ' N ' HD22 ' A' ' 112' ' ' LEU . 11.9 tt0 -94.1 134.15 36.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 14' ' ' LEU . 32.1 mt -119.76 159.97 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -134.74 122.97 22.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.626 HG23 ' HD3' ' A' ' 118' ' ' PRO . 27.6 m -129.34 -166.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.57 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -165.82 55.24 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD3' HG23 ' A' ' 116' ' ' VAL . 18.1 Cg_endo -75.03 169.47 22.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.3 tptt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.209 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -122.13 143.32 49.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.0 m -129.89 138.06 50.73 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.648 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -141.25 136.73 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.2 m -108.21 154.64 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 74' ' ' ALA . 4.6 mp -137.56 151.59 48.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -132.6 114.09 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.724 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 38.2 p90 -177.37 -177.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 0.775 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.607 HG23 ' HB3' ' A' ' 66' ' ' LYS . 8.9 t -158.49 162.27 37.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.83 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.6 mm? -115.4 177.52 4.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.83 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.1 mp . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 25.3 m-85 57.72 117.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 83' ' ' ASP . 44.4 t -71.81 125.98 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.607 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -80.62 -57.11 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . 0.57 ' HA ' HG22 ' A' ' 81' ' ' THR . 23.0 mt-30 -135.73 176.43 8.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 67' ' ' GLN . 4.0 t -154.48 113.46 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -39.86 136.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.37 98.25 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.47 33.17 3.7 Favored Glycine 0 CA--C 1.533 1.177 0 O-C-N 124.435 1.085 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.25 -157.91 10.5 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.18 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -40.19 -46.98 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.07 -55.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.9 mm-40 -65.27 -45.34 84.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.371 1.045 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.637 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -45.23 -26.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.247 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.91 6.58 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -68.37 -177.07 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.527 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER 179.36 -165.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 108.297 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 67' ' ' GLN . 51.9 p -103.27 134.11 47.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.99 -40.86 2.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 65' ' ' VAL . 45.6 m-20 -51.89 129.18 26.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 0.745 . . . . 0.0 109.219 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 24.3 ptt-85 -93.9 146.0 24.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.65 HD13 HG12 ' A' ' 116' ' ' VAL . 30.0 mm -83.73 132.95 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 0.823 HD12 ' HE3' ' A' ' 87' ' ' LYS . 41.1 pt -111.08 -35.58 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.823 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.9 mttt -135.99 165.44 25.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.422 HG23 ' C ' ' A' ' 87' ' ' LYS . 74.8 t -154.01 118.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.458 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 3.0 m-20 48.31 34.08 4.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.01 29.01 74.26 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.091 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.443 ' CB ' HD13 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -112.82 90.68 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 0.794 . . . . 0.0 110.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . 17.7 m -38.65 115.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.628 ' O ' HG23 ' A' ' 93' ' ' VAL . 12.1 m -78.43 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 109.375 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.24 126.62 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.4 13.99 82.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.584 1.178 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.739 ' HE2' HD11 ' A' ' 104' ' ' LEU . 53.5 mttp -97.43 158.96 15.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 97' ' ' THR . 12.4 t -119.25 60.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.763 ' O ' HG22 ' A' ' 101' ' ' VAL . 13.3 t80 56.15 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.9 OUTLIER -37.43 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.5 mm-40 -62.53 -55.86 23.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 98' ' ' TYR . 28.2 m -62.13 -29.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 102' ' ' ILE . 16.8 mm -58.82 -48.35 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -57.45 -31.64 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.739 HD11 ' HE2' ' A' ' 96' ' ' LYS . 26.1 mt -66.76 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.735 HG23 ' HG ' ' A' ' 112' ' ' LEU . 7.2 mt -78.65 -34.52 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -80.44 -26.67 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ASN . . . . . 0.552 ' OD1' ' C ' ' A' ' 107' ' ' ASN . 35.9 p30 -98.45 1.45 46.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.542 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -69.42 -12.69 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.4 t70 81.18 -152.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -55.01 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.13 165.46 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.735 ' HG ' HG23 ' A' ' 105' ' ' ILE . 1.5 tm? -160.48 114.53 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.468 ' N ' HD22 ' A' ' 112' ' ' LEU . 25.7 tt0 -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.675 HD12 HD11 ' A' ' 14' ' ' LEU . 27.0 mt -125.49 174.88 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.61 123.86 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.65 HG12 HD13 ' A' ' 85' ' ' ILE . 34.2 m -117.92 -178.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.604 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -126.41 98.0 33.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.009 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.81 26.17 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.564 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -92.61 136.25 33.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -113.35 145.83 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -137.49 119.86 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 87.2 m -91.51 139.72 30.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.4 mp -124.13 164.25 19.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.838 ' HG2' HG22 ' A' ' 111' ' ' THR . 44.1 mttt -133.83 113.3 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PHE . . . . . 0.484 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.4 p90 -43.9 167.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.2 t -141.47 164.97 28.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -110.83 166.1 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 63' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -91.42 146.53 23.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 83' ' ' ASP . 88.1 t -73.64 145.43 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.743 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -99.81 -47.68 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -157.85 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.238 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.17 116.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.93 153.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -96.82 74.72 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.24 32.44 2.57 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.56 -152.35 20.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -68.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.693 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -47.13 -44.6 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 76.0 t80 -51.5 -33.43 31.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -81.64 -55.42 4.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.42 -30.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.87 4.66 29.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.541 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.0 tp -51.52 -178.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' CYS . . . . . 0.559 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -168.14 -164.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 p -103.77 131.68 50.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.135 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.45 -41.22 2.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ASP . . . . . 0.767 ' O ' HG23 ' A' ' 65' ' ' VAL . 70.8 m-20 -52.64 124.35 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -97.15 148.54 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mp -82.61 131.55 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.621 1.201 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ILE . . . . . 1.003 HD12 ' HE2' ' A' ' 87' ' ' LYS . 3.9 pt -112.36 -33.03 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 1.003 ' HE2' HD12 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -142.43 150.11 40.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.759 HG22 HD23 ' A' ' 114' ' ' LEU . 93.3 t -136.32 129.3 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ASN . . . . . 0.637 ' CG ' HG12 ' A' ' 88' ' ' VAL . 0.2 OUTLIER 33.21 44.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.42 51.82 5.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -108.37 -23.5 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER 85.33 111.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 93' ' ' VAL . 4.0 m -135.51 53.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.49 -38.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.371 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -126.32 29.45 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -95.83 149.32 21.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.8 166.14 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' TYR . . . . . 0.926 ' CE1' HD11 ' A' ' 102' ' ' ILE . 19.0 t80 -54.77 -64.02 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.33 -30.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -71.04 0.31 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' VAL . . . . . 0.454 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 33.8 m -50.03 -30.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.926 HD11 ' CE1' ' A' ' 98' ' ' TYR . 4.0 mm -56.6 -47.73 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.53 84.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.35 -29.23 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.43 -44.5 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.64 -29.12 70.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -102.28 11.37 38.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 62.5 p -53.89 -20.09 5.48 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 2.9 t70 81.06 -151.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.8 m -53.58 -51.31 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' THR . . . . . 0.838 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -109.81 178.88 4.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -152.67 109.06 3.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.489 ' N ' HD22 ' A' ' 112' ' ' LEU . 35.4 tt0 -93.34 132.88 37.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LEU . . . . . 0.759 HD23 HG22 ' A' ' 88' ' ' VAL . 10.0 mt -128.82 168.6 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' SER . . . . . 0.456 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 8.7 t -143.49 127.33 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.564 HG22 ' HG2' ' A' ' 10' ' ' LYS . 3.4 m -118.34 -168.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' MET . . . . . 0.42 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 3.1 mmt -139.77 87.86 12.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' PRO . . . . . 0.481 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.4 Cg_endo -75.06 170.64 19.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m 60.3 161.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.07 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -175.15 158.27 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.95 48.4 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.08 108.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 109.963 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.99 82.16 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.54 135.0 6.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.568 1.167 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.16 156.65 10.55 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.2 Cg_endo -75.08 140.53 25.34 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -88.2 144.06 26.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -133.43 138.68 46.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -138.37 129.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 26.3 m -103.15 141.61 35.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.565 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 5.1 mp -130.71 150.13 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 12.6 mttt -110.37 133.29 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -55.38 112.5 1.12 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.389 1.056 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -138.39 119.99 15.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . 4.5 m 49.62 49.57 19.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 67.01 -70.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' SER . . . -59.85 175.06 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.427 1.08 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.631 ' CE2' ' CB ' ' A' ' 112' ' ' LEU . 33.3 m-85 -130.5 38.46 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 0.818 . . . . 0.0 110.954 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.95 -76.14 2.18 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.572 1.17 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -66.59 -178.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.479 HG23 ' HB3' ' A' ' 66' ' ' LYS . 4.1 t -157.73 164.91 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -108.17 -179.75 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -111.62 133.82 53.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ARG . 2.5 m170 -39.45 140.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.625 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -65.94 136.49 56.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.599 ' O ' ' CE2' ' A' ' 31' ' ' TYR . 56.7 mt -51.94 98.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.332 1.02 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.891 HG12 ' HD3' ' A' ' 32' ' ' PRO . 39.2 t -39.75 147.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 29' ' ' ILE . 1.1 m-85 -131.14 62.25 64.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.891 ' HD3' HG12 ' A' ' 30' ' ' VAL . 18.5 Cg_endo -75.01 153.73 41.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.86 140.81 26.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.594 1.839 . . . . 0.0 111.042 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -55.11 -63.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -123.6 121.59 35.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' HB1' ' OE1' ' A' ' 38' ' ' GLN . . . -176.91 -108.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 mt 59.45 80.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.462 ' OE1' ' HB1' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -166.37 39.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -144.51 100.51 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 m 56.89 -178.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.045 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.619 ' CD1' ' N ' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -121.83 -40.83 2.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.49 87.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 1.179 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.73 161.58 4.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.29 173.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -142.48 138.29 30.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.581 1.175 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -54.25 136.77 42.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 1.066 . . . . 0.0 109.305 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -123.65 -67.03 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.571 1.169 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.12 157.95 7.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 109.342 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.14 164.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.392 1.058 . . . . 0.0 110.217 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.0 -79.05 0.13 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.03 114.77 0.42 Allowed Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -81.32 65.03 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 0.825 . . . . 0.0 109.364 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.94 -59.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.14 -61.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.3 t30 68.74 112.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 144.3 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.2 83.77 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.01 157.19 90.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -83.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.9 mtt 45.07 76.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -94.62 -65.24 1.0 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.587 HG21 ' HB3' ' A' ' 84' ' ' ARG . 87.3 m -149.2 172.29 15.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.477 HD11 HG21 ' A' ' 101' ' ' VAL . 1.1 mp -83.03 -55.89 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 0.7 OUTLIER 61.16 134.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 66' ' ' LYS . 39.9 t -80.96 163.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HB3' HG23 ' A' ' 24' ' ' THR . 1.1 tttp -113.04 -62.24 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HA ' HG22 ' A' ' 81' ' ' THR . 3.2 mt-30 -141.49 170.87 14.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.7 111.93 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -45.27 161.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.97 90.87 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 28.64 3.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.63 -161.34 19.08 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -62.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . . . -45.23 -53.58 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -44.4 -44.87 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.4 mm-40 -71.62 -53.84 12.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.59 -30.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.69 18.39 9.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.612 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.8 tp -71.26 176.16 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 0.807 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 -164.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 108.353 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.555 HG22 ' HA ' ' A' ' 67' ' ' GLN . 47.0 p -103.18 133.03 48.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.43 -23.62 31.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -56.99 126.91 29.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 0.734 . . . . 0.0 109.386 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.587 ' HB3' HG21 ' A' ' 62' ' ' THR . 10.4 mtt180 -93.5 142.35 27.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mm -83.95 134.27 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.509 HD12 ' HE3' ' A' ' 87' ' ' LYS . 28.0 pt -119.2 -39.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.509 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.6 mttt -134.94 161.21 35.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.6 t -150.75 126.16 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 49.99 56.76 7.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.57 26.79 0.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 131.76 55.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.87 108.16 5.0 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.588 1.18 . . . . 0.0 109.968 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.924 HG11 HG12 ' A' ' 101' ' ' VAL . 35.1 m -110.16 46.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.62 -55.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.77 8.25 70.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.561 1.163 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.413 ' HD2' HG12 ' A' ' 93' ' ' VAL . 47.0 mttm -84.51 155.8 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.958 HG22 ' HG3' ' A' ' 100' ' ' GLN . 14.5 t -99.72 157.63 16.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.417 ' HA ' HG22 ' A' ' 101' ' ' VAL . 67.8 t80 -51.79 -29.65 19.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.6 t -72.88 -15.65 61.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.958 ' HG3' HG22 ' A' ' 97' ' ' THR . 10.0 mt-30 -88.89 -59.92 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.924 HG12 HG11 ' A' ' 93' ' ' VAL . 21.3 m -51.08 -31.59 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mm -56.9 -54.52 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.71 -39.01 67.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.41 -44.24 92.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.0 mt -66.71 -31.65 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -81.73 -24.08 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.5 m-80 -97.94 19.51 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -63.15 -12.99 31.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.934 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' THR . 4.9 t0 61.26 -95.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 19.4 m -92.78 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 108' ' ' SER . 0.7 OUTLIER -108.83 170.0 8.32 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.631 ' CB ' ' CE2' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -136.36 108.68 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.458 ' N ' HD22 ' A' ' 112' ' ' LEU . 24.8 tt0 -90.5 146.3 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 14' ' ' LEU . 12.7 mt -138.3 -172.16 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -167.92 135.65 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' ARG . 3.6 m -133.44 -163.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.364 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.533 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 2.2 mmt -143.07 103.35 5.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.84 139.12 24.34 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.48 1.779 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 166.79 13.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.183 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -57.72 126.6 28.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 t -150.85 154.75 37.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.943 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 172.3 89.41 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.93 12.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.95 153.59 48.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.75 -54.37 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.636 1.21 . . . . 0.0 110.073 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.94 -59.01 1.62 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 0.784 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m 61.88 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.966 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.95 100.2 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -171.61 85.56 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 109.912 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.44 151.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.056 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.42 -158.15 0.27 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.34 -136.66 4.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.11 17.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.551 1.816 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.595 ' HG2' HG22 ' A' ' 116' ' ' VAL . 1.8 ttpt -86.41 138.83 31.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.6 m -128.5 139.3 52.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -142.4 133.77 25.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -102.08 149.08 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 114' ' ' LEU . 5.2 mp -140.26 125.61 18.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.816 ' HG3' HG22 ' A' ' 111' ' ' THR . 0.0 OUTLIER -98.26 117.72 33.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.226 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -42.69 112.23 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.604 1.19 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 p -73.94 -39.53 63.71 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.633 1.208 . . . . 0.0 110.374 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.76 -75.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.059 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -116.41 101.63 8.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.079 . . . . 0.0 110.392 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.92 127.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 70.2 m-85 -56.0 171.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 111.065 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . -55.31 -82.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.523 ' CE1' HD11 ' A' ' 114' ' ' LEU . 15.4 p90 -46.96 174.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 t -147.97 167.05 25.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.611 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.9 mm? -109.88 167.75 9.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.96 156.45 39.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.2 145.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.568 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -114.53 -49.86 2.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.593 ' O ' ' CE1' ' A' ' 31' ' ' TYR . 59.3 mt 40.23 85.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.0 p -83.69 144.58 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 29' ' ' ILE . 4.9 m-85 -121.88 77.79 40.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 18.1 Cg_endo -75.05 149.06 35.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -74.95 162.5 37.12 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.538 1.81 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -70.69 127.01 31.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 t 67.55 -66.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . 65.54 152.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 38' ' ' GLN . 6.6 mt -93.43 -101.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.535 ' N ' HG22 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -101.37 -60.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.3 t80 57.19 111.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -125.65 148.89 48.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.74 97.4 11.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -56.52 -169.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -146.07 -52.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.95 100.71 6.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -166.53 -60.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.409 1.068 . . . . 0.0 110.332 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -174.86 -57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.69 -99.69 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -176.74 152.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -172.49 135.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.4 170.45 13.42 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.457 1.098 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.93 111.73 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -167.85 166.57 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.383 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 57.65 164.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' ASN . 41.2 ttm180 63.66 145.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 54' ' ' ARG . 17.6 t30 61.07 147.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -61.74 -150.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.611 HD23 ' N ' ' A' ' 57' ' ' LEU . 2.7 mt -76.63 -153.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 23.1 mt-10 -162.22 159.63 21.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -161.23 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -146.14 -170.45 3.49 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -166.94 123.46 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.569 HG22 ' CD2' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -82.91 -4.86 58.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 110.421 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.611 ' CG2' HD12 ' A' ' 25' ' ' LEU . 2.2 mp 67.92 -68.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CD2' HG22 ' A' ' 62' ' ' THR . 0.4 OUTLIER 58.0 158.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.781 HG11 ' O ' ' A' ' 80' ' ' CYS . 58.9 t -92.28 149.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -60.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.81 162.64 31.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.495 HG21 ' CA ' ' A' ' 80' ' ' CYS . 49.5 t -131.93 118.32 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -49.64 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.91 94.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.38 12.14 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.68 -154.09 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -64.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.606 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -42.17 -56.48 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -44.36 -48.11 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -71.66 -53.16 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.53 -30.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.17 7.88 15.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.672 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -68.63 176.56 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.811 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.781 ' O ' HG11 ' A' ' 65' ' ' VAL . 14.6 p -173.45 -155.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 108.259 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.5 p -103.48 132.49 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.21 -50.37 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.5 m-20 -50.46 135.5 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -113.68 145.21 41.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.529 HD12 HG12 ' A' ' 116' ' ' VAL . 1.5 mp -82.47 118.05 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.605 HD12 ' HE3' ' A' ' 87' ' ' LYS . 42.6 pt -105.01 -28.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.605 ' HE3' HD12 ' A' ' 86' ' ' ILE . 24.6 mttt -132.51 166.04 22.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' LYS . 38.9 t -152.32 115.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 73.0 m-20 53.57 32.13 13.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.9 5.16 88.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.679 ' OE1' HD22 ' A' ' 104' ' ' LEU . 4.3 tt0 -95.34 117.05 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 0.813 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 p -64.14 129.3 39.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.583 ' HB ' HG11 ' A' ' 101' ' ' VAL . 2.4 m -81.78 -23.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' VAL . 2.9 mp -40.43 116.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.79 -45.17 2.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 21.9 mttp -57.96 145.79 34.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.446 HG22 ' HG3' ' A' ' 100' ' ' GLN . 8.4 t -89.97 155.13 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.55 ' CE1' HD11 ' A' ' 102' ' ' ILE . 18.1 t80 -42.1 -42.63 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -45.08 93.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HG3' HG22 ' A' ' 97' ' ' THR . 1.9 mt-30 -56.34 -63.85 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.583 HG11 ' HB ' ' A' ' 93' ' ' VAL . 32.7 m -50.71 -42.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 98' ' ' TYR . 2.3 mm -51.08 -49.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.4 94.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.679 HD22 ' OE1' ' A' ' 91' ' ' GLU . 63.5 mt -56.77 -20.52 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 21' ' ' PHE . 40.5 mt -92.2 -49.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.55 -41.9 99.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -87.4 10.41 17.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 19.3 t -70.58 -8.57 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.6 t0 81.47 -158.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 m -54.68 -61.37 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.816 HG22 ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -89.48 154.02 20.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.368 1.043 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.765 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -146.45 124.26 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.143 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.765 ' N ' HD22 ' A' ' 112' ' ' LEU . 23.9 tt0 -104.83 136.92 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.336 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 14' ' ' LEU . 9.9 mt -121.75 167.61 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.76 123.24 17.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.899 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.595 HG22 ' HG2' ' A' ' 10' ' ' LYS . 25.2 m -126.57 -175.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 1.1 mmt -131.39 107.94 14.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.638 1.211 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 172.97 15.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.58 1.831 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -144.71 -67.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -88.05 94.61 9.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.0 m -46.24 135.54 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.933 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.58 -171.83 31.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.569 1.826 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.9 t -131.45 173.64 10.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 110.063 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 t -173.67 113.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.61 1.194 . . . . 0.0 111.034 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.83 136.84 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.17 110.15 20.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.938 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.01 145.43 17.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.14 162.94 35.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.971 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -125.39 -51.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.611 1.194 . . . . 0.0 109.966 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.91 93.65 0.54 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.6 -136.42 4.17 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo -74.99 174.72 12.3 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HE2' ' CG2' ' A' ' 116' ' ' VAL . 2.2 ttpt -103.08 140.0 37.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 94.0 m -125.52 139.98 53.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.615 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -141.81 141.92 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 4.9 m -113.1 158.26 20.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.3 mp -143.09 137.97 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 5.2 mttt -121.97 113.98 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -41.56 114.64 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.1 t -103.93 18.39 22.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.382 1.051 . . . . 0.0 110.354 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER 160.74 -91.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.053 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -124.87 146.77 49.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.491 ' O ' ' CG ' ' A' ' 21' ' ' PHE . . . 46.2 -115.54 1.82 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.511 ' CZ ' ' CB ' ' A' ' 112' ' ' LEU . 56.9 m-85 -164.08 144.56 8.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -39.25 -81.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.752 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 4.1 p90 -48.8 171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.5 t -158.3 156.09 30.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.649 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -109.94 161.58 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.94 142.12 34.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 172.64 -71.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.669 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER 46.8 28.43 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -40.21 142.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.642 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 3.2 t -140.01 132.19 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 30' ' ' VAL . 72.0 m-85 -159.6 68.12 3.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HD3' ' CG1' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 172.23 16.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.426 1.75 . . . . 0.0 110.963 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -79.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 t -116.79 53.95 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.61 1.194 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.97 71.91 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.353 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mm -73.99 136.98 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.84 132.19 44.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.374 1.047 . . . . 0.0 110.236 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.69 -56.29 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 m -76.85 -167.51 0.86 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -120.87 172.84 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.074 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 61.81 94.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -45.16 -54.91 6.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 38.85 84.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.239 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.0 165.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.57 113.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.6 85.96 1.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -164.53 97.25 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 0.809 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 112.56 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.92 97.07 1.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -42.18 102.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.45 -59.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 0.737 . . . . 0.0 109.37 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -71.78 79.93 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.418 1.074 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -75.5 -49.13 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' ARG . 3.4 m120 61.34 123.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.515 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER 59.15 -166.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.515 HD22 ' C ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -105.17 -174.31 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.34 159.48 10.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.04 -88.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 50.17 79.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.06 -69.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 63' ' ' ILE . 97.9 m -156.71 170.98 21.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.408 1.068 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.2 mp -103.14 155.42 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 109.229 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.92 141.94 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.54 153.33 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HB3' HG23 ' A' ' 24' ' ' THR . 6.9 ttpt -110.46 -71.07 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.02 169.07 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -136.57 122.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -68.33 113.59 6.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.634 1.209 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.99 95.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.71 25.68 4.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.56 -157.41 18.8 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -60.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.72 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -49.93 -56.47 10.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -39.61 -44.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -67.33 -57.17 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.16 -31.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.88 6.08 28.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.615 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -52.08 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.418 ' N ' ' OD2' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -161.36 -170.43 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.0 p -103.17 136.39 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.48 5.09 67.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 80' ' ' CYS . 18.4 m-20 -70.7 138.48 50.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.453 ' CD ' HG21 ' A' ' 62' ' ' THR . 21.8 ttt180 -93.77 129.22 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.672 HD13 HG12 ' A' ' 116' ' ' VAL . 47.4 mm -82.75 131.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.693 HG21 ' HG3' ' A' ' 117' ' ' MET . 20.3 pt -115.88 -40.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -135.04 164.88 26.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.591 1.182 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.622 HG22 HD23 ' A' ' 114' ' ' LEU . 2.7 t -150.7 100.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.502 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 1.1 m-20 70.56 37.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 15.34 71.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.87 141.86 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 m -81.24 117.92 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.0 m -67.28 -31.81 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.4 mp -50.63 104.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.05 24.1 4.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.524 ' HE2' HD11 ' A' ' 104' ' ' LEU . 34.2 mttp -125.24 170.07 11.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 97' ' ' THR . 5.0 t -132.41 48.77 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 97' ' ' THR . 4.8 t80 66.3 -63.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.503 ' OG ' HG23 ' A' ' 97' ' ' THR . 0.3 OUTLIER -48.27 -26.03 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.916 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 96' ' ' LYS . 40.2 mt-30 -77.98 -67.3 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.519 HG13 ' CD ' ' A' ' 96' ' ' LYS . 16.2 m -50.8 -36.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.13 -48.71 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -61.5 -38.31 86.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.524 HD11 ' HE2' ' A' ' 96' ' ' LYS . 83.8 mt -58.07 -29.83 65.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.647 HG23 ' HG ' ' A' ' 112' ' ' LEU . 19.8 mt -82.51 -46.74 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.55 -26.66 67.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ALA . 46.5 m-80 -107.83 24.14 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.68 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -86.99 -5.42 59.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 81.86 -157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -60.4 -40.61 91.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.147 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.46 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -101.2 155.07 18.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.68 HD23 ' OG ' ' A' ' 108' ' ' SER . 1.1 tm? -147.65 118.98 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.535 ' N ' HD22 ' A' ' 112' ' ' LEU . 2.0 tm-20 -101.23 143.53 31.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.392 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.752 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 13.7 mt -128.78 -169.09 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.39 133.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.672 HG12 HD13 ' A' ' 85' ' ' ILE . 12.2 m -135.34 -163.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.693 ' HG3' HG21 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -143.85 110.24 5.18 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.93 39.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -106.52 157.49 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.24 -56.67 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.86 158.24 25.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 135.04 105.03 0.81 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.16 29.73 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m 66.5 142.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.3 t -101.49 -60.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.593 1.183 . . . . 0.0 111.004 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.39 160.46 15.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 0.798 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -131.6 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.83 -155.82 19.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.059 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.27 149.86 3.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 0.702 . . . . 0.0 110.047 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 59.72 167.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.046 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.35 -137.58 2.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.51 -77.96 0.59 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.3 Cg_endo -74.98 163.2 35.85 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -89.67 147.15 24.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -135.39 134.41 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.382 1.051 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.737 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -139.34 143.86 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.5 m -117.78 146.35 43.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.739 HD21 ' HB2' ' A' ' 74' ' ' ALA . 6.1 mp -128.42 160.86 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.213 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.58 ' HG2' HG22 ' A' ' 111' ' ' THR . 7.0 mttm -123.65 129.04 50.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' N ' ' CE2' ' A' ' 21' ' ' PHE . 3.8 ttt180 -47.09 110.34 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.573 HG22 ' HG3' ' A' ' 73' ' ' PRO . 12.1 t -156.07 138.45 14.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.465 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.67 80.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 42.31 91.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 21' ' ' PHE . . . 73.32 -97.13 0.84 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 69.3 m-85 -157.06 -179.0 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 23' ' ' PHE . . . -82.02 -155.99 16.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.665 ' HE2' HD22 ' A' ' 14' ' ' LEU . 12.2 p90 46.36 178.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 111.075 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.942 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.5 t -158.71 162.24 37.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 110.362 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.548 HD21 ' HE1' ' A' ' 23' ' ' PHE . 1.4 mm? -112.37 169.59 8.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.16 148.61 25.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.649 ' NE2' ' CD2' ' A' ' 98' ' ' TYR . 0.3 OUTLIER -175.32 106.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.65 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 29' ' ' ILE . 1.1 t80 -93.41 -38.36 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' A' ' 31' ' ' TYR . 23.9 mt -38.3 114.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG13 ' HD3' ' A' ' 32' ' ' PRO . 18.4 t -94.28 143.96 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.614 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -179.73 61.82 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 111.054 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HD3' HG13 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.93 156.44 43.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.579 1.831 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG2' ' HB3' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.98 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.37 147.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 t 54.3 22.96 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 110.059 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB3' ' HG2' ' A' ' 33' ' ' PRO . . . -136.89 171.53 14.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.5 mt 61.66 121.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -175.67 48.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -165.98 -178.49 4.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.08 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -168.82 168.37 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 118.63 21.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -110.15 128.96 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -169.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.408 1.068 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.03 97.59 6.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -169.43 152.4 4.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.84 139.27 3.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.42 1.075 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -174.56 117.12 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 0.711 . . . . 0.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -56.9 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.92 -162.89 35.21 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.418 1.074 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.42 170.67 32.87 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.97 166.18 12.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 0.742 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.37 168.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.3 -41.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 62.23 161.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.173 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.552 ' O ' HD23 ' A' ' 57' ' ' LEU . 40.1 ttp180 -152.92 66.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER 174.91 73.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 25.0 mt-10 -107.33 160.14 27.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.615 1.197 . . . . 0.0 110.342 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 18.4 Cg_endo -74.95 -73.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.66 -45.35 0.6 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.0 t0 43.43 66.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.594 HG21 ' CD ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -121.5 177.33 5.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.42 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' ' 101' ' ' VAL . 2.6 mp -128.99 89.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.237 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 46.5 m-85 -82.47 131.11 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 80' ' ' CYS . 40.4 t -71.18 98.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.942 ' HB3' HG23 ' A' ' 24' ' ' THR . 3.8 tptt -44.35 -52.89 7.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.789 ' HA ' HG22 ' A' ' 81' ' ' THR . 1.3 mt-30 -159.78 -177.73 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.547 HG11 ' HA ' ' A' ' 75' ' ' PHE . 49.2 t -137.79 111.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -46.13 126.73 7.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.379 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 88.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.96 24.44 4.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.96 -169.12 29.61 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HG3' HG22 ' A' ' 17' ' ' THR . 18.1 Cg_endo -75.05 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.739 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -67.27 -48.92 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.547 ' HA ' HG11 ' A' ' 68' ' ' VAL . 5.5 t80 -50.74 -42.84 57.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.7 mm-40 -67.56 -53.02 31.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.98 -27.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.39 6.8 31.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.737 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -55.56 161.5 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.496 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -134.96 -172.12 2.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.146 . . . . 0.0 108.36 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.789 HG22 ' HA ' ' A' ' 67' ' ' GLN . 33.1 p -103.43 136.12 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.472 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.33 15.37 64.46 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.42 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.405 ' OD2' ' C ' ' A' ' 80' ' ' CYS . 49.9 m-20 -82.46 136.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.594 ' CD ' HG21 ' A' ' 62' ' ' THR . 14.5 mtp180 -93.85 131.39 39.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.588 HD13 HG12 ' A' ' 116' ' ' VAL . 19.8 mm -82.91 137.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 93' ' ' VAL . 31.9 pt -119.02 -40.59 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.525 ' HE3' HD12 ' A' ' 86' ' ' ILE . 5.2 mttt -129.38 158.87 37.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.644 HG22 HD23 ' A' ' 114' ' ' LEU . 87.2 t -157.07 128.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.402 HD21 HD23 ' A' ' 112' ' ' LEU . 25.9 m120 50.26 27.23 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.82 40.74 73.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.1 -4.09 18.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t 59.0 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.058 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.87 HG11 HG12 ' A' ' 101' ' ' VAL . 11.6 m -93.65 14.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.555 ' H ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -68.07 90.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.18 6.04 24.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.12 -172.95 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 t -123.64 158.73 30.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.649 ' CD2' ' NE2' ' A' ' 27' ' ' HIS . 8.3 t80 -44.84 -55.52 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -46.0 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -68.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.87 HG12 HG11 ' A' ' 93' ' ' VAL . 13.4 m -46.81 -34.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 mm -61.05 -60.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -47.91 -42.05 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.76 -38.04 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -76.32 -19.79 57.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 103' ' ' ALA . 65.2 m-20 -105.52 20.54 18.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.39 1.056 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 20.4 m -62.07 -13.78 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 110' ' ' THR . 11.8 t0 60.05 -96.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 91.2 m -92.66 -63.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.58 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -114.07 161.27 17.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 1.2 tm? -122.22 108.92 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.428 ' N ' HD22 ' A' ' 112' ' ' LEU . 36.7 tt0 -89.27 131.98 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.644 HD23 HG22 ' A' ' 88' ' ' VAL . 29.1 mt -124.48 179.08 5.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -166.79 130.95 2.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 85' ' ' ILE . 15.1 m -129.9 -173.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.608 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -131.26 97.55 19.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 149.19 36.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.066 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.57 163.25 17.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.6 108.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.18 139.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 176.79 -73.89 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 165.17 31.89 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.59 81.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.3 t -143.99 160.55 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.101 0 O-C-N 124.462 1.101 . . . . 0.0 110.928 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 44.06 88.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.996 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t -127.18 143.85 51.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.14 -154.87 7.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 42.89 87.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -149.96 -51.82 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.58 -71.98 0.29 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.47 78.32 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 18.2 Cg_endo -75.03 156.85 42.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -95.37 139.35 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.392 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -124.91 143.67 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.547 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -144.96 123.9 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.674 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 24.5 m -95.5 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 13' ' ' THR . 5.6 mp -141.09 156.95 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 6.7 mttm -130.49 117.02 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -46.02 113.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -142.98 119.47 10.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.481 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.1 m 65.07 178.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -43.91 115.57 0.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 49.46 -177.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.591 1.182 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 49.3 m-85 -76.09 -174.3 2.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 0.802 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.49 -84.91 0.54 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 4.6 p90 -46.36 169.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.473 ' C ' HD13 ' A' ' 25' ' ' LEU . 7.1 t -156.38 156.19 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.605 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -109.15 169.35 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.06 175.98 13.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 65.97 114.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.605 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -155.77 158.55 38.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.92 -53.64 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 31' ' ' TYR . 15.6 t 54.28 171.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' H ' HG12 ' A' ' 30' ' ' VAL . 12.4 m-85 -136.65 61.85 38.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -75.0 165.4 31.4 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.3 3.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.555 1.818 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.34 -60.26 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 t -119.47 -60.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.633 1.208 . . . . 0.0 109.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.24 93.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.229 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.63 ' H ' HD12 ' A' ' 37' ' ' ILE . 2.3 mp -72.35 71.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.198 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.84 86.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -74.03 -62.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER 50.88 99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.007 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -171.19 124.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 110.976 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.73 149.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 60.08 110.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.531 ' O ' ' C ' ' A' ' 45' ' ' GLU . 7.9 mp0 -71.24 150.9 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER 27.21 82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 53.7 t-20 -170.1 150.63 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . 98.67 -169.74 23.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.336 1.023 . . . . 0.0 111.05 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -160.96 97.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -149.85 168.9 22.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 172.08 -158.13 28.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.607 1.192 . . . . 0.0 111.044 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.8 -156.54 27.46 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 157.53 41.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.588 0.816 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -167.99 167.66 12.54 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.609 1.193 . . . . 0.0 110.264 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -86.02 94.4 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -138.53 106.84 5.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' HD13 ' A' ' 57' ' ' LEU . 10.9 ttt180 -137.52 64.92 1.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.434 1.083 . . . . 0.0 110.243 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 56' ' ' ARG . 1.2 tp 174.81 96.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 44.9 mt-10 -125.91 160.36 57.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 18.4 Cg_endo -74.87 -81.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.779 . . . . 0.0 111.059 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 42.9 mtp 58.88 166.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 111.012 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' O ' ' HB ' ' A' ' 62' ' ' THR . 46.3 m-20 -148.79 32.03 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER 72.21 -0.99 3.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.522 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 98' ' ' TYR . 2.5 mp 57.74 100.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -109.48 157.3 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.722 HG11 ' O ' ' A' ' 80' ' ' CYS . 78.6 t -79.51 149.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -112.64 -64.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.211 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -135.91 162.79 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.337 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -132.31 120.96 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -55.12 116.78 2.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.417 1.073 . . . . 0.0 109.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.69 92.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.65 33.74 2.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.62 -154.91 9.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -67.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -41.46 -50.71 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.02 -45.98 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -69.71 -53.27 19.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.5 -29.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.619 1.199 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.36 3.91 29.03 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.599 1.187 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.547 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.9 tp -54.89 -177.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.624 0.838 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.722 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -172.48 -164.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 p -103.9 133.3 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.12 -32.98 6.12 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 65' ' ' VAL . 42.5 m-20 -60.9 153.14 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' VAL . 1.5 ptt180 -124.8 143.83 50.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.578 HD12 HG12 ' A' ' 116' ' ' VAL . 1.1 mp -82.09 119.35 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.681 HD12 ' HE3' ' A' ' 87' ' ' LYS . 49.9 pt -98.0 -35.59 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.681 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.2 mttt -133.24 161.31 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.549 HG22 HD23 ' A' ' 114' ' ' LEU . 37.9 t -153.83 102.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 91' ' ' GLU . 16.0 m-20 68.06 71.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.32 25.27 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 1.1 mm-40 -120.28 128.24 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 1.9 m -91.31 30.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 92' ' ' SER . 10.3 m 40.63 32.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 92' ' ' SER . 44.1 mm -57.89 99.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.81 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.933 ' HZ1' HD21 ' A' ' 104' ' ' LEU . 26.2 mttt -40.85 124.15 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.421 HG22 ' HG3' ' A' ' 100' ' ' GLN . 6.4 t -76.18 171.9 13.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 63' ' ' ILE . 1.7 t80 -52.81 -33.04 47.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.583 1.177 . . . . 0.0 111.075 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 0.0 110.023 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.421 ' HG3' HG22 ' A' ' 97' ' ' THR . 3.5 mt-30 -66.35 -51.0 61.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 0.0 110.349 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.455 ' HA ' HD12 ' A' ' 104' ' ' LEU . 15.0 m -58.08 -33.79 47.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.7 mm -63.35 -50.13 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.04 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.933 HD21 ' HZ1' ' A' ' 96' ' ' LYS . 88.0 mt -55.8 -31.42 62.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.463 HG13 HG11 ' A' ' 88' ' ' VAL . 30.1 mt -80.7 -50.64 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.219 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.46 -38.15 80.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -97.42 23.85 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 37.6 t -81.01 -7.34 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.6 t0 81.77 -156.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.2 m -57.01 -60.66 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.448 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -90.34 159.84 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.36 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -153.6 127.17 8.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.714 ' N ' HD22 ' A' ' 112' ' ' LEU . 23.7 tt0 -110.38 140.74 44.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.429 1.081 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 12.6 mt -122.32 -176.9 3.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.27 131.34 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 85' ' ' ILE . 22.8 m -131.14 -172.45 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.53 ' HE1' ' HA ' ' A' ' 9' ' ' PRO . 2.5 mmt -139.92 87.95 12.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.85 42.7 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -124.86 156.04 38.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.217 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -72.96 97.95 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.32 132.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.31 96.93 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.416 1.073 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.82 13.64 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.455 1.766 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.67 166.22 11.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.051 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.0 t -94.0 101.81 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.024 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 O-C-N 124.49 1.119 . . . . 0.0 110.908 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.94 101.23 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 110.037 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -97.33 168.79 10.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.62 159.39 24.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.29 179.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 0.805 . . . . 0.0 110.046 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.15 163.33 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.939 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.34 61.94 0.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.65 -104.35 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.47 9.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.417 1.746 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -88.46 147.77 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 m -130.41 138.85 50.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.74 129.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 95.3 m -105.3 151.07 24.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.672 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.5 mp -135.8 152.54 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.206 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.725 ' HG2' HG22 ' A' ' 111' ' ' THR . 22.1 mttt -127.26 118.0 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -48.67 113.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 p -98.42 54.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.98 40.11 28.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 110.041 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -176.89 -172.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 50.03 4.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 55.3 m-85 55.06 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.785 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . -85.62 -71.7 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.642 ' CE1' HD22 ' A' ' 14' ' ' LEU . 5.1 p90 -46.99 169.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -148.89 157.12 43.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.606 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -108.83 160.0 16.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.375 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 -173.29 168.78 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 60.85 152.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE2' ' HB ' ' A' ' 30' ' ' VAL . 9.7 t80 -167.85 140.44 3.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.777 ' O ' HG12 ' A' ' 30' ' ' VAL . 36.3 mt -68.9 -88.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.777 HG12 ' O ' ' A' ' 29' ' ' ILE . 6.4 p 51.4 175.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.65 ' H ' HG22 ' A' ' 30' ' ' VAL . 55.6 m-85 -157.73 93.87 2.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.53 31.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.92 -65.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.76 -83.08 0.16 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.1 t -126.03 34.39 4.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.49 ' HB2' ' HG2' ' A' ' 33' ' ' PRO . . . -61.73 -93.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.3 mt 63.96 77.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.374 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -108.08 -26.12 10.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 51.65 174.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.094 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.42 156.37 0.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.596 1.185 . . . . 0.0 110.026 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -164.16 121.07 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.17 135.86 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.97 108.87 21.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.39 166.81 23.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.14 135.07 17.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -62.15 133.12 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.25 -155.73 28.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -115.78 133.87 55.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.07 167.36 30.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.351 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.48 -172.87 14.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.98 108.25 1.35 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -67.59 0.41 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -128.88 80.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 174.5 -50.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.49 84.59 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -44.08 148.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 65.37 75.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 58.1 157.09 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.253 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.443 ' C ' ' CG ' ' A' ' 60' ' ' MET . 18.6 Cg_endo -74.99 -61.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.455 1.766 . . . . 0.0 111.065 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.443 ' CG ' ' C ' ' A' ' 59' ' ' PRO . 1.9 ptt? 36.03 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 t0 165.08 80.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.69 ' CG2' ' CE2' ' A' ' 64' ' ' PHE . 53.9 m -157.85 -95.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.468 HD13 HG21 ' A' ' 101' ' ' VAL . 2.4 mp 66.59 116.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.69 ' CE2' ' CG2' ' A' ' 62' ' ' THR . 88.2 m-85 -112.93 166.26 11.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.414 HG11 ' O ' ' A' ' 80' ' ' CYS . 53.2 t -95.31 116.42 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -54.5 7.56 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -148.79 171.2 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.09 110.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 3.1 tttp -44.03 127.44 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.38 90.53 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.98 40.0 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.34 -156.6 9.6 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -49.5 -60.81 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -38.75 -34.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -78.23 -60.42 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.22 -32.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.27 4.38 14.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.504 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.6 tp -55.21 145.49 21.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.414 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -131.1 -167.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 108.3 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 133.19 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.6 -23.75 23.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.82 160.86 13.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -133.43 141.72 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.576 HD12 HG12 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -81.75 120.23 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.763 HD12 ' HE3' ' A' ' 87' ' ' LYS . 25.7 pt -102.09 -28.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.763 ' HE3' HD12 ' A' ' 86' ' ' ILE . 11.2 mttt -135.41 158.55 44.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.7 t -143.82 105.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.452 ' ND2' ' OG ' ' A' ' 108' ' ' SER . 55.3 m-20 57.08 31.23 19.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.48 28.7 51.73 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.58 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 0.697 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m 58.59 101.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.802 ' CG1' HG12 ' A' ' 101' ' ' VAL . 24.5 m -99.21 50.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.4 mm -81.48 -61.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.05 40.51 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.643 1.214 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -123.62 161.56 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.48 HG22 ' HG3' ' A' ' 100' ' ' GLN . 1.2 t -110.51 173.87 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.66 ' CE1' HD11 ' A' ' 102' ' ' ILE . 29.0 t80 -50.02 -55.41 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -48.34 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.48 ' HG3' HG22 ' A' ' 97' ' ' THR . 0.7 OUTLIER -53.14 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.802 HG12 ' CG1' ' A' ' 93' ' ' VAL . 35.8 m -51.2 -37.52 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.66 HD11 ' CE1' ' A' ' 98' ' ' TYR . 4.8 mm -57.04 -60.31 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.79 -36.27 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 108' ' ' SER . 48.3 mt -59.15 -37.62 77.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.393 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.55 -42.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.97 -25.84 63.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ALA . 30.7 m-80 -117.09 23.51 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.207 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.732 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.6 OUTLIER -77.38 0.07 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 108' ' ' SER . 11.5 t70 82.98 178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 14.6 m -37.18 -49.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.725 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -99.45 172.48 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.732 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -158.6 108.3 2.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.6 ' N ' HD22 ' A' ' 112' ' ' LEU . 35.8 tt0 -89.39 139.36 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.672 HD12 ' CD1' ' A' ' 14' ' ' LEU . 14.5 mt -128.94 177.78 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 m -153.02 125.22 8.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 110.002 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.576 HG12 HD12 ' A' ' 85' ' ' ILE . 24.4 m -122.61 179.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.487 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -132.71 94.83 20.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.964 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 -178.97 4.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 120' ' ' ASP . 40.7 tttt -150.68 -74.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.425 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 12.7 t70 -131.3 99.75 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.53 155.64 46.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 110.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -141.31 114.81 0.95 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.33 40.57 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.3 t -178.09 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.81 104.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.531 1.144 . . . . 0.0 110.944 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.61 170.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 110.036 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.97 140.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.85 -122.4 0.95 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m 63.26 161.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 0.759 . . . . 0.0 109.957 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 61.12 153.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.7 115.29 1.48 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.7 -96.66 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 170.91 19.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 11' ' ' THR . 13.8 tptt -93.13 149.14 21.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.8 m -135.14 136.27 41.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.24 124.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.641 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 86.1 m -103.75 154.14 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.361 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 114' ' ' LEU . 4.4 mp -135.95 170.61 15.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.702 ' HG2' HG22 ' A' ' 111' ' ' THR . 25.1 mttt -138.47 117.44 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -43.73 111.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.189 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -126.96 -45.71 1.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.6 176.92 7.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.989 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.71 134.12 53.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.13 26.8 50.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.424 1.077 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 21.1 m-85 52.48 173.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . -55.22 -78.65 0.11 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.62 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 1.4 p90 -53.61 177.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.608 ' C ' HD13 ' A' ' 25' ' ' LEU . 7.6 t -157.77 155.64 30.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.608 HD13 ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -113.28 169.75 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -147.34 117.88 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.28 63.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.651 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 2.9 t80 -96.54 -4.56 41.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.409 1.068 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.75 ' O ' HG12 ' A' ' 30' ' ' VAL . 51.2 mt -45.4 -79.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 29' ' ' ILE . 6.3 p 50.84 177.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.673 ' H ' HG22 ' A' ' 30' ' ' VAL . 61.2 m-85 -157.81 82.38 2.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HD3' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.94 165.0 32.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -165.77 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.558 1.82 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -78.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -117.22 -56.57 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.37 1.044 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.22 167.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.94 129.76 69.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.47 157.17 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -157.08 -54.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -54.33 153.77 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -173.92 -53.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 167.39 18.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 109.267 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -106.31 108.81 20.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.198 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -112.69 147.87 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.37 93.59 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -153.74 161.73 41.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.99 82.25 0.64 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -95.2 -55.61 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.98 147.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.17 170.93 53.02 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.454 1.096 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.76 -150.87 16.24 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.44 -47.85 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 54.66 170.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -114.22 -64.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.396 1.06 . . . . 0.0 110.367 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 66.03 121.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.88 -160.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -80.61 75.46 7.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 23.5 mt-10 -47.3 159.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 18.5 Cg_endo -75.05 -75.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -113.17 -70.92 0.78 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 62' ' ' THR . 2.7 t70 64.12 96.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER 165.21 -27.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.454 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.532 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.1 mt 66.8 116.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.475 ' CZ ' HG21 ' A' ' 62' ' ' THR . 83.8 m-85 -124.66 146.77 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.71 HG11 ' O ' ' A' ' 80' ' ' CYS . 97.8 t -71.88 133.54 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -60.92 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.19 166.3 23.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.385 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.32 115.02 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.13 148.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 4.1 tm-20 -92.46 82.21 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.57 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 104.48 28.34 5.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.064 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.26 -155.61 29.53 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' GLU . 18.8 Cg_endo -74.96 -68.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.556 1.819 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.738 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -46.56 -42.19 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.57 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 69.3 t80 -54.73 -31.66 58.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -84.07 -52.71 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.1 -30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.74 6.12 17.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.571 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -58.25 -177.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.71 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -175.46 -165.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.1 p -103.93 133.68 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.89 -11.25 41.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 65' ' ' VAL . 50.3 m-20 -81.25 137.23 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -104.25 144.92 30.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.384 1.053 . . . . 0.0 110.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.598 HD13 HG12 ' A' ' 116' ' ' VAL . 27.1 mm -84.94 134.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.674 HD13 ' HG2' ' A' ' 117' ' ' MET . 36.2 pt -116.55 -38.63 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.611 ' HE3' HD12 ' A' ' 86' ' ' ILE . 3.0 mttt -133.92 161.27 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.752 HG22 HD23 ' A' ' 114' ' ' LEU . 41.6 t -153.4 124.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.16 36.2 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.29 12.99 52.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.734 ' OE1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -94.59 124.51 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.83 108.91 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.945 HG11 HG12 ' A' ' 101' ' ' VAL . 27.5 m -112.15 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 94' ' ' ILE . 5.2 mp -64.04 -32.41 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.82 27.04 6.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' A' ' 93' ' ' VAL . 54.3 mttp -104.77 177.19 4.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 0.737 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.555 HG22 ' HG3' ' A' ' 100' ' ' GLN . 13.0 t -112.18 -172.34 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -72.42 -57.37 4.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.6 t -51.65 -22.22 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 1.183 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.555 ' HG3' HG22 ' A' ' 97' ' ' THR . 62.7 mt-30 -77.55 -70.73 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.945 HG12 HG11 ' A' ' 93' ' ' VAL . 24.2 m -49.23 -27.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.43 -52.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.47 -33.83 64.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.734 HD22 ' OE1' ' A' ' 91' ' ' GLU . 55.2 mt -63.62 -41.69 98.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.0 mt -71.81 -23.71 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -91.33 -19.17 23.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.8 m-20 -105.77 20.16 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 111' ' ' THR . 0.7 OUTLIER -73.05 -5.74 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 110' ' ' THR . 14.1 t0 62.46 -100.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 17.0 m -92.97 -63.77 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.702 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -98.83 176.08 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -149.91 106.24 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.046 . . . . 0.0 109.318 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.459 ' N ' HD22 ' A' ' 112' ' ' LEU . 22.9 tt0 -82.39 140.71 33.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.78 HD12 HD11 ' A' ' 14' ' ' LEU . 69.8 mt -130.53 -178.92 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m -164.13 131.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.598 HG12 HD13 ' A' ' 85' ' ' ILE . 23.3 m -129.61 -170.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.428 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.674 ' HG2' HD13 ' A' ' 86' ' ' ILE . 2.1 mmt -136.79 95.47 12.35 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 158.91 41.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.382 1.727 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.34 179.85 4.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -52.21 60.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t 61.38 155.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.18 111.14 3.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 126.43 9.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.443 1.759 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.1 p -168.28 99.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.038 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.29 -60.27 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.96 107.85 17.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.946 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -64.82 -60.06 3.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.76 -77.63 0.31 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -60.27 3.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 110.084 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.51 111.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.57 132.89 2.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.54 -139.46 8.85 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.7 39.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.436 1.756 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -88.35 147.2 24.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -133.86 138.25 45.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.461 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -140.04 134.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 7.3 m -108.49 149.86 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.2 mp -137.75 143.44 41.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -117.9 115.38 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -44.14 111.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 p -77.16 -69.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.97 -81.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.363 1.039 . . . . 0.0 110.013 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.08 114.96 11.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.38 104.0 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.502 ' CZ ' ' CB ' ' A' ' 112' ' ' LEU . 78.4 m-85 -43.37 150.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.78 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.17 -84.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.182 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.737 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.0 p90 -49.22 174.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.675 HG23 ' HB3' ' A' ' 66' ' ' LYS . 2.7 t -157.91 164.92 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.482 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.2 mm? -110.35 177.27 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -149.37 162.74 39.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 110.263 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 6.9 m80 80.61 91.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.564 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.922 ' O ' HD13 ' A' ' 29' ' ' ILE . 18.3 p90 -78.24 139.99 38.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.922 HD13 ' O ' ' A' ' 28' ' ' PHE . 2.0 mm -136.31 123.23 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.851 HG12 ' HD3' ' A' ' 32' ' ' PRO . 4.2 t -102.46 -127.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.066 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.578 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 0.1 OUTLIER 51.17 54.84 15.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.851 ' HD3' HG12 ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.07 161.79 38.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -166.6 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -66.53 -171.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' GLU . 6.1 t -39.3 -42.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 42.3 -101.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.384 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.4 mt -40.15 158.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 109.331 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -158.97 149.89 20.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CG ' ' O ' ' A' ' 39' ' ' PHE . 8.6 p90 -45.2 125.37 5.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.19 142.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -126.22 -56.36 1.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 133.88 55.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -119.57 -55.13 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.412 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 57.03 163.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.9 155.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.54 159.88 32.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.222 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.23 140.46 3.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 177.64 116.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.21 159.95 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.13 168.97 28.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.55 140.72 5.14 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.06 167.4 4.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.379 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.75 155.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.52 149.75 45.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.18 -42.84 83.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.355 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 61.69 129.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.363 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 70.77 81.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -97.37 157.38 34.93 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -75.17 0.66 8.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' PRO . 8.2 mtm -35.73 143.17 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.531 1.144 . . . . 0.0 110.943 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -153.44 40.02 0.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.543 HG21 ' CG ' ' A' ' 84' ' ' ARG . 1.8 m 70.9 159.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 101' ' ' VAL . 1.1 mp -82.78 -55.15 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 3.0 m-85 58.98 123.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 80' ' ' CYS . 54.8 t -63.66 139.32 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.675 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -86.78 -63.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -146.93 170.7 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.7 t -131.54 123.73 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -70.35 113.15 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 93.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.69 32.71 2.83 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -116.42 -158.44 11.38 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.97 -47.66 4.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.2 mm-40 -66.07 -54.87 20.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.98 -30.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.347 1.029 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 105.95 18.65 11.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.667 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.5 tp -67.4 166.49 14.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.429 ' O ' HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -145.96 -170.5 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 108.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 135.61 45.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.398 1.061 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.09 4.26 64.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.73 137.05 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -94.84 132.48 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.506 HD13 HG12 ' A' ' 116' ' ' VAL . 33.2 mm -82.97 122.89 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.822 ' O ' HG22 ' A' ' 93' ' ' VAL . 26.8 pt -109.51 -47.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.625 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.7 mttt -132.44 167.05 20.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.583 HG12 ' N ' ' A' ' 89' ' ' ASN . 46.9 t -114.25 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' HG12 ' A' ' 88' ' ' VAL . 3.2 p30 -104.61 58.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.391 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.95 38.2 49.0 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.405 1.065 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' HG3' HD22 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -115.42 -35.02 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.12 128.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 86' ' ' ILE . 1.3 m -100.52 30.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.85 94.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.8 -29.58 12.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.417 ' HA ' ' NE2' ' A' ' 100' ' ' GLN . 17.7 mttm -61.51 150.02 37.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 3.0 t -108.06 177.47 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.767 ' CE1' HD11 ' A' ' 102' ' ' ILE . 46.2 t80 -46.79 -65.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -48.41 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.942 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.417 ' NE2' ' HA ' ' A' ' 96' ' ' LYS . 15.0 mt-30 -57.27 -71.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 63' ' ' ILE . 34.4 m -46.56 -44.48 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 98' ' ' TYR . 11.1 mm -44.53 -51.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.58 92.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 91' ' ' GLU . 90.6 mt -53.53 -24.63 13.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.4 mt -86.73 -48.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -59.92 -33.31 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.98 12.87 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 94.5 p -59.35 -22.61 61.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.0 t70 81.41 -151.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 m -55.22 -49.69 71.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.473 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.06 173.99 6.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.8 OUTLIER -159.22 112.52 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.565 ' N ' HD22 ' A' ' 112' ' ' LEU . 54.9 tt0 -97.8 150.61 21.07 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.737 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 13.5 mt -138.22 174.72 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.7 131.84 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 1.038 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.506 HG12 HD13 ' A' ' 85' ' ' ILE . 15.7 m -129.42 -170.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.637 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -135.8 96.53 13.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.78 13.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.577 1.83 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.24 -178.46 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.75 -56.66 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 72.1 m 60.89 106.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -49.79 139.48 17.6 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 67.18 5.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.613 1.849 . . . . 0.0 111.072 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.9 p -145.78 95.45 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.01 120.31 6.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m 58.04 107.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.052 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -168.51 143.22 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.73 176.8 14.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.609 1.193 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -160.2 100.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.2 88.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.97 146.48 4.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.609 1.193 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.33 -121.69 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 153.85 42.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.67 142.03 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -128.6 138.15 52.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.18 128.73 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -98.95 152.56 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.712 ' CD1' HD12 ' A' ' 114' ' ' LEU . 4.9 mp -140.2 121.13 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.755 ' HG3' HG22 ' A' ' 111' ' ' THR . 4.7 mptt -100.13 115.5 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -41.35 110.34 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.334 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -141.6 13.3 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.367 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.39 -152.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.074 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -91.65 133.87 35.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 46.55 42.29 13.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 76.5 m-85 38.27 40.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.486 0.756 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.05 -84.08 1.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.435 1.085 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.14 176.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.645 ' O ' HD13 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -158.18 168.36 27.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -119.51 166.15 13.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -173.34 173.51 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 72.9 92.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.556 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CE2' ' CE2' ' A' ' 98' ' ' TYR . 26.0 p90 -166.78 140.44 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.409 ' HB ' ' CG ' ' A' ' 59' ' ' PRO . 77.3 mt -102.66 -43.63 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 31' ' ' TYR . 16.7 t 54.45 170.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.617 1.198 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.52 ' H ' HG12 ' A' ' 30' ' ' VAL . 7.1 m-85 -135.49 61.64 44.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -74.94 167.15 27.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.585 1.834 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.71 34.46 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.611 1.848 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -83.65 149.77 26.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.338 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t 49.07 33.7 5.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.5 105.73 10.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.592 1.183 . . . . 0.0 109.231 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.5 mt -58.68 148.42 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.02 143.05 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.06 139.28 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.7 178.93 9.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -85.22 44.46 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 128.89 40.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.387 1.054 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.42 159.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.86 108.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.55 156.99 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -99.12 162.3 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 175.72 103.63 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -158.15 -176.14 5.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 0.769 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 59.07 -87.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.34 -128.69 16.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.55 111.85 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.84 93.24 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 0.794 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.64 -176.55 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.82 176.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.54 163.19 19.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -163.68 68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.6 mm? -102.37 19.61 18.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 22.8 mt-10 64.6 160.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 18.3 Cg_endo -75.03 -90.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.418 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 25.4 ptm -159.33 175.69 13.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 60' ' ' MET . 0.8 OUTLIER 76.03 154.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.469 ' HB ' ' CE1' ' A' ' 64' ' ' PHE . 19.8 m -131.18 166.58 20.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.527 HG22 HG12 ' A' ' 85' ' ' ILE . 2.6 mp -60.12 84.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.5 m-30 -101.19 137.41 39.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.859 HG21 ' OD2' ' A' ' 83' ' ' ASP . 5.4 t -56.35 147.74 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -113.67 -35.53 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 12.0 mt-30 -163.53 164.98 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.62 1.2 . . . . 0.0 110.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.88 123.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -64.62 121.62 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.38 94.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.37 25.9 4.49 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.485 1.116 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.25 -166.41 22.96 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.426 1.751 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.685 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.15 -46.37 53.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.79 -45.88 70.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -72.54 -49.41 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.232 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.29 -25.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.42 6.85 26.93 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.536 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.5 tp -68.06 147.76 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.427 ' O ' HG11 ' A' ' 65' ' ' VAL . 18.6 p -142.91 -159.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 108.262 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.4 p -103.72 130.38 51.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.03 -30.08 7.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.859 ' OD2' HG21 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -59.38 128.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 0.79 . . . . 0.0 109.347 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 ptt-85 -94.49 152.87 18.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 63' ' ' ILE . 19.1 mm -91.52 127.05 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.858 HD12 ' HE2' ' A' ' 87' ' ' LYS . 2.7 pt -114.38 -37.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.858 ' HE2' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -144.47 165.96 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.221 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 89' ' ' ASN . 23.3 t -124.26 -122.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.573 ' N ' HG12 ' A' ' 88' ' ' VAL . 73.4 m-20 -80.96 71.74 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.22 26.41 67.68 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.671 ' OE1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -104.91 -176.88 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.7 m -134.91 107.73 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.917 HG11 HG12 ' A' ' 101' ' ' VAL . 10.8 m -110.47 47.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.9 mt -64.79 -61.0 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.382 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.45 20.37 23.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HD2' HG12 ' A' ' 93' ' ' VAL . 44.5 mttm -74.68 162.7 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 100' ' ' GLN . 1.4 t -99.98 161.43 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.559 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 33.7 t80 -50.88 -52.49 41.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 t -49.39 -43.82 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.066 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.415 ' H ' HG23 ' A' ' 97' ' ' THR . 7.3 mt-30 -59.74 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.917 HG12 HG11 ' A' ' 93' ' ' VAL . 18.2 m -48.11 -42.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.38 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.559 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 8.3 mm -51.22 -52.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.87 93.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.213 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.671 HD22 ' OE1' ' A' ' 91' ' ' GLU . 56.6 mt -52.04 -24.69 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.223 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.5 mt -89.26 -49.21 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.53 -32.99 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.25 16.24 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 109.355 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 95.1 p -63.92 -22.33 66.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.2 t0 81.11 -154.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.1 m -53.65 -51.76 62.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.755 HG22 ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -102.28 159.71 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -144.22 111.59 5.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.66 ' N ' HD22 ' A' ' 112' ' ' LEU . 14.6 tt0 -95.21 148.85 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.712 HD12 ' CD1' ' A' ' 14' ' ' LEU . 23.4 mt -138.39 168.89 18.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -147.56 130.21 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.523 HG11 ' OD1' ' A' ' 83' ' ' ASP . 13.6 m -127.14 -178.4 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.623 ' SD ' HD13 ' A' ' 86' ' ' ILE . 57.5 mmm -128.64 102.87 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 158.06 42.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.13 174.62 10.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 t70 71.06 -62.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.59 79.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 59.93 169.49 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 80.32 2.46 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.9 m -166.16 167.12 16.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.064 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 126' ' ' GLY . 10.9 t 173.96 -53.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.951 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 125' ' ' SER . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -58.77 6.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.031 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.12 86.11 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.24 -75.28 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.55 -58.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.943 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -132.16 127.06 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.15 -107.65 0.5 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.52 -172.93 44.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.12 31.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.74 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -113.33 123.11 49.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 m -117.47 155.45 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.834 HG23 ' HB2' ' A' ' 114' ' ' LEU . 1.7 m -141.66 142.53 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -117.22 144.73 44.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.802 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.7 mp -127.68 142.94 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.677 ' HA ' HG22 ' A' ' 111' ' ' THR . 15.1 mmtt -105.92 114.82 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -40.98 112.41 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -112.34 79.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.434 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 17' ' ' THR . 3.7 m 77.97 -67.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 110.074 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -145.89 150.52 36.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 21' ' ' PHE . . . 38.17 -124.32 1.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 94.8 m-85 -164.26 -171.62 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' VAL . . . -90.48 57.05 3.49 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 21' ' ' PHE . 8.8 p90 -179.02 164.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.656 HG23 ' HB3' ' A' ' 66' ' ' LYS . 12.4 t -154.82 161.23 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -111.18 175.51 5.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 139.85 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -176.48 82.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.553 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.615 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -110.11 -24.83 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.751 ' O ' HG12 ' A' ' 30' ' ' VAL . 64.8 mt -37.29 -56.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 29' ' ' ILE . 6.3 p 50.93 177.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.677 ' H ' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER 176.35 75.01 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 154.38 42.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.558 1.82 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.483 ' HG2' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.97 -78.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.798 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -131.4 -72.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.7 t -135.66 37.08 2.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.614 1.196 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.483 ' HB2' ' HG2' ' A' ' 33' ' ' PRO . . . -51.53 -43.93 62.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.637 HG22 ' N ' ' A' ' 38' ' ' GLN . 65.8 mt 52.91 -108.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.637 ' N ' HG22 ' A' ' 37' ' ' ILE . 0.5 OUTLIER 69.49 109.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -112.37 92.33 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.25 86.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -80.3 162.12 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.55 138.23 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 19.8 p-10 -178.49 93.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.607 1.192 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 43' ' ' ASP . 1.7 mp0 -142.39 124.85 15.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 40.66 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -138.74 154.32 48.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.54 -103.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.621 1.2 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -146.21 122.87 11.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.55 172.79 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.48 166.58 26.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.48 -162.19 10.44 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.72 125.9 26.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -176.6 131.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -143.25 124.89 14.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.9 -67.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -80.88 142.71 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.52 -172.0 2.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 29.2 mt-10 -128.77 160.11 64.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 18.3 Cg_endo -74.98 -72.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.811 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.9 mtm -153.24 138.09 17.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 111.055 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.14 85.98 2.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.98 HG21 ' CZ ' ' A' ' 64' ' ' PHE . 3.4 m -143.61 158.44 43.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.486 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.535 HG21 HG13 ' A' ' 85' ' ' ILE . 7.8 mm -96.33 -65.39 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.98 ' CZ ' HG21 ' A' ' 62' ' ' THR . 21.2 m-85 54.69 107.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 80' ' ' CYS . 87.2 t -51.87 156.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.656 ' HB3' HG23 ' A' ' 24' ' ' THR . 4.0 tptm -112.94 -56.43 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.533 ' CG ' HG22 ' A' ' 24' ' ' THR . 1.0 OUTLIER -136.28 170.08 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 67' ' ' GLN . 8.3 t -153.83 117.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -56.35 123.37 14.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -71.2 83.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 122.87 4.44 8.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -81.32 -163.05 30.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -53.24 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.802 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -53.13 -53.89 43.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 3.0 t80 -48.13 -53.58 16.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 4.2 mm-40 -59.5 -52.98 63.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.445 ' HB1' ' HB ' ' A' ' 12' ' ' VAL . . . -42.1 -28.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.13 22.85 6.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.756 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.1 tp -82.58 -170.67 3.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 0.747 . . . . 0.0 109.374 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.73 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER 178.15 -165.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 108.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.427 ' CG2' ' HA ' ' A' ' 67' ' ' GLN . 4.7 p -103.16 130.68 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.19 -32.15 7.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.478 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -52.04 131.21 31.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.567 ' HD2' HG23 ' A' ' 62' ' ' THR . 3.8 ttt180 -93.77 133.91 36.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.226 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.594 HD13 HG12 ' A' ' 116' ' ' VAL . 18.8 mm -82.62 137.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.669 HD12 ' HE3' ' A' ' 87' ' ' LYS . 50.4 pt -114.02 -34.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.669 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.35 162.96 31.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.8 118.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 45.2 m-20 46.33 55.91 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.41 21.94 6.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.16 82.27 1.98 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 p -40.17 131.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.618 HG12 HG11 ' A' ' 101' ' ' VAL . 2.8 m -64.42 -31.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 mp -46.3 111.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.59 14.72 26.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -122.01 163.93 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 97' ' ' THR . 7.0 t -113.45 51.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.613 ' O ' HG22 ' A' ' 101' ' ' VAL . 35.7 t80 58.01 -75.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -37.94 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.019 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -64.68 -63.14 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.618 HG11 HG12 ' A' ' 93' ' ' VAL . 35.3 m -55.69 -31.84 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.9 mm -54.53 -46.19 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -60.6 -39.21 87.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.43 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 80.4 mt -59.14 -36.55 75.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 112' ' ' LEU . 7.7 mt -73.04 -36.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.38 -31.47 60.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 103' ' ' ALA . 37.2 m-20 -93.43 21.25 6.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 77.9 p -52.31 -20.22 2.58 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.373 1.046 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' CG ' ' N ' ' A' ' 110' ' ' THR . 3.7 t70 60.34 -91.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 55.0 m -91.57 -61.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.677 HG22 ' HA ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -126.24 168.03 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.629 HD13 ' HG ' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -126.79 107.82 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -83.08 130.79 35.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.834 ' HB2' HG23 ' A' ' 12' ' ' VAL . 38.8 mt -127.19 169.45 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -155.07 129.98 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.74 HG22 ' HG2' ' A' ' 10' ' ' LYS . 7.9 m -124.04 -168.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.49 ' HG2' HD13 ' A' ' 86' ' ' ILE . 3.6 mmt -148.35 89.16 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.04 159.35 41.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 149.39 21.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.63 164.11 2.18 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 t 72.63 89.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -171.88 80.02 0.09 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -70.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.7 p -41.03 123.92 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.96 90.55 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -124.16 122.44 37.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.61 87.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.048 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.37 85.99 1.44 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.383 1.052 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -157.04 -57.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 109.987 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -112.37 152.28 28.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.4 -155.64 12.59 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.577 1.173 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.18 -130.37 10.25 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo -75.13 152.1 39.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.557 1.819 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' CD ' ' HG3' ' A' ' 118' ' ' PRO . 1.7 tttt -94.82 123.56 38.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -111.31 148.24 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.699 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -135.03 134.91 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -107.11 135.76 48.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.2 mp -120.75 135.59 55.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.1 120.46 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER -47.99 112.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.621 1.201 . . . . 0.0 110.257 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 p -83.21 -92.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.03 -66.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -63.48 -56.4 16.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.24 76.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 17.6 m-85 59.4 -165.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 0.783 . . . . 0.0 110.992 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -134.27 62.92 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 111.066 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.474 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.5 p90 -179.19 160.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.656 HG22 ' CG ' ' A' ' 67' ' ' GLN . 2.8 t -140.01 161.09 38.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 24' ' ' THR . 1.1 mm? -110.03 177.65 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.72 175.4 3.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 t60 67.82 104.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.636 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -159.0 126.16 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.8 mt -113.61 109.66 29.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.626 HG12 ' H ' ' A' ' 31' ' ' TYR . 2.9 t -117.67 174.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.626 ' H ' HG12 ' A' ' 30' ' ' VAL . 25.6 m-85 -152.2 61.93 4.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.94 173.34 14.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.406 1.74 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.0 144.73 30.59 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -80.74 154.93 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.23 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.6 t 42.61 34.19 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.88 115.03 22.54 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.527 ' H ' HD12 ' A' ' 37' ' ' ILE . 5.1 mp -75.29 85.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -95.83 134.37 38.87 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.095 . . . . 0.0 110.269 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -80.74 94.35 6.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.8 t -152.13 107.58 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -93.64 48.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.52 52.01 13.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.587 1.179 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -173.94 107.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -85.19 152.96 22.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 110.351 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -139.62 -59.44 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -179.91 157.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.419 1.075 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.0 146.09 17.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.19 150.9 20.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.36 146.24 42.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -105.19 -145.04 13.18 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.401 1.063 . . . . 0.0 110.973 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.16 -65.26 1.12 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.74 128.77 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.796 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -117.75 157.94 25.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.39 154.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -169.6 91.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -175.84 170.93 2.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.596 HD23 ' N ' ' A' ' 57' ' ' LEU . 3.5 mt -85.51 88.82 7.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -98.53 156.77 35.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.418 1.746 . . . . 0.0 111.023 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 mtt -122.16 -175.71 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.152 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -169.88 105.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.633 HG22 ' CE1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -92.53 -6.99 48.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.388 1.055 . . . . 0.0 110.359 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 101' ' ' VAL . 2.3 mp 59.82 152.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.633 ' CE1' HG22 ' A' ' 62' ' ' THR . 39.7 m-85 -162.54 145.79 11.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.614 HG11 ' O ' ' A' ' 80' ' ' CYS . 86.8 t -73.99 141.73 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HB3' ' CG2' ' A' ' 24' ' ' THR . 0.0 OUTLIER -108.77 -30.71 8.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.365 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.698 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.7 pt20 -155.28 179.95 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 67' ' ' GLN . 25.9 t -160.53 127.17 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.468 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 13.0 tptt -69.73 113.51 7.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 98.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.58 25.21 4.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.386 1.054 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.58 -160.39 16.08 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 22' ' ' GLY . 18.0 Cg_endo -75.12 -65.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -42.57 -44.77 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.05 -55.4 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.5 -46.51 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.378 1.049 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -48.32 -24.33 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.6 1.188 . . . . 0.0 109.229 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.14 10.35 30.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.699 ' CD1' HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -75.75 170.25 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 0.77 . . . . 0.0 109.187 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.614 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -164.7 -158.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 m -104.05 152.25 22.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.296 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.66 -22.04 15.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.77 136.28 57.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.47 ' HB2' ' CG2' ' A' ' 62' ' ' THR . 15.4 ptt180 -95.28 149.19 21.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.525 HD13 HG12 ' A' ' 116' ' ' VAL . 36.3 mm -94.57 127.07 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.987 HD12 ' HE3' ' A' ' 87' ' ' LYS . 4.4 pt -110.9 -38.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.987 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -146.25 164.02 33.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 89' ' ' ASN . 46.4 t -109.99 -115.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.572 ' N ' HG12 ' A' ' 88' ' ' VAL . 5.1 p30 -105.19 53.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.78 34.98 10.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HB3' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -135.22 107.18 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.0 m -58.74 119.09 6.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.572 ' O ' HG23 ' A' ' 93' ' ' VAL . 12.4 m -83.54 52.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.3 mm -102.63 119.84 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.53 54.81 4.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.531 ' CD ' HG13 ' A' ' 101' ' ' VAL . 40.7 mttp -129.33 166.23 19.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 97' ' ' THR . 4.9 t -134.0 49.85 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.459 ' HA ' ' CG2' ' A' ' 101' ' ' VAL . 5.2 t80 67.56 -61.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.2 OUTLIER -47.76 -30.74 4.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -64.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.66 HG21 HD11 ' A' ' 63' ' ' ILE . 7.6 m -53.04 -40.42 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 mm -46.78 -49.56 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.55 -43.66 76.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 91' ' ' GLU . 29.6 mt -53.51 -36.47 61.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.403 HG12 HD11 ' A' ' 112' ' ' LEU . 7.8 mt -74.26 -33.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.85 -16.89 52.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.204 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.5 m-80 -79.16 -14.56 59.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 0.1 OUTLIER -49.04 -58.02 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 40.1 t0 70.77 -69.8 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.2 m -94.21 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 108' ' ' SER . 0.6 OUTLIER -126.09 148.69 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.38 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 108' ' ' SER . 0.8 OUTLIER -123.0 117.42 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.359 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 89' ' ' ASN . 26.5 tt0 -99.28 143.68 29.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.543 ' HB2' HG23 ' A' ' 12' ' ' VAL . 10.2 mt -137.88 165.6 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 15.0 m -142.27 125.96 16.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.525 HG12 HD13 ' A' ' 85' ' ' ILE . 19.5 m -121.59 -167.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.553 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 5.3 mmt -147.51 89.86 5.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.445 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -74.96 150.55 38.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.03 156.31 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.219 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 122' ' ' GLY . 1.5 m-20 -109.01 -44.99 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.7 m 64.76 -78.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.964 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 120' ' ' ASP . . . -110.57 -166.43 19.21 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.602 1.189 . . . . 0.0 110.991 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 59.81 5.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.0 m -146.3 90.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.8 p -68.45 159.26 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 p -175.17 157.75 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.954 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.98 89.99 0.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.9 171.68 20.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -161.43 -50.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.921 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.5 152.49 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.62 59.41 1.25 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.594 1.184 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.79 88.09 0.33 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HA ' ' HE3' ' A' ' 117' ' ' MET . 18.3 Cg_endo -75.01 134.25 17.57 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.676 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.8 OUTLIER -103.43 119.25 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.4 m -96.53 134.4 39.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.21 . . . . 0.0 110.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.12 124.62 60.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.0 m -97.12 148.9 22.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.523 HD13 HD13 ' A' ' 112' ' ' LEU . 5.8 mp -134.36 156.07 49.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.782 ' HG2' HG22 ' A' ' 111' ' ' THR . 4.1 mttm -121.45 120.97 36.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -39.11 111.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.89 175.73 7.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -43.64 -57.41 3.19 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -133.03 128.75 36.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.68 -142.95 46.13 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.122 . . . . 0.0 111.09 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 1.2 m-85 -142.18 21.46 2.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . 81.81 -81.11 1.69 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.5 p90 -59.88 169.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 25' ' ' LEU . 8.7 t -158.1 170.2 22.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.665 HD22 ' N ' ' A' ' 25' ' ' LEU . 0.1 OUTLIER -121.29 158.72 27.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.07 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.83 149.33 30.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 t60 179.76 130.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.431 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 3.1 t80 -74.99 -174.04 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' ' 28' ' ' PHE . 3.0 mt 79.25 84.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 59.3 t -76.07 120.34 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.669 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 2.2 m-85 -83.27 -40.25 0.79 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.02 154.9 42.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HG2' ' HB3' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.96 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -129.9 138.95 51.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 t 61.97 26.9 16.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.057 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HB3' ' HG2' ' A' ' 33' ' ' PRO . . . -110.32 -74.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.51 95.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -92.48 -16.41 25.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.352 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.35 101.97 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.74 97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -167.55 -59.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' CE ' ' HA ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -160.53 115.75 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.215 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.97 114.73 23.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.34 143.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.49 109.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -137.46 167.49 21.53 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.541 1.151 . . . . 0.0 109.361 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.89 170.36 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -143.85 165.02 28.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -178.85 155.54 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.11 -162.35 9.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.594 1.184 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.71 114.21 3.39 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -176.24 132.22 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.68 153.78 41.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.42 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.22 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.53 98.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.31 161.1 8.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.1 173.34 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' OE1' ' CD1' ' A' ' 31' ' ' TYR . 6.6 mm-40 -116.96 165.74 14.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.98 -18.08 19.08 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.1 ptm -57.03 124.12 17.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.99 -78.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.545 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 32.8 m -146.81 162.63 38.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.496 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.555 HG22 HG12 ' A' ' 85' ' ' ILE . 2.1 mp -89.8 134.89 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.545 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 88.6 m-85 -136.56 123.79 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.732 HG11 ' O ' ' A' ' 80' ' ' CYS . 87.5 t -49.78 142.93 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -107.81 -48.47 3.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 161.44 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 80' ' ' CYS . 9.8 t -134.78 115.0 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 1.3 tmtt? -49.96 106.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 86.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.511 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 117.07 12.39 8.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.46 1.1 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.24 -156.91 32.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.373 1.722 . . . . 0.0 110.978 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -43.65 -51.47 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 4.3 t80 -47.48 -49.02 26.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 75' ' ' PHE . 2.9 mm-40 -70.87 -51.37 26.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.12 -27.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 113.54 11.69 12.76 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.0 tp -73.92 159.07 33.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 0.717 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.732 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -156.15 -160.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 108.382 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.7 p -103.51 137.95 40.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.23 -20.5 42.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.696 ' O ' HG23 ' A' ' 65' ' ' VAL . 43.8 m-20 -72.69 125.6 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 1.8 ptt180 -94.01 150.34 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.555 HG12 HG22 ' A' ' 63' ' ' ILE . 24.1 mm -88.35 134.06 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.677 HD12 ' HE3' ' A' ' 87' ' ' LYS . 41.5 pt -116.84 -38.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.677 ' HE3' HD12 ' A' ' 86' ' ' ILE . 10.0 mttt -132.99 160.11 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 51.2 t -146.28 110.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 2.0 m120 61.74 17.14 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.7 -9.68 57.11 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.11 121.89 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 110.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 p -74.36 112.17 10.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 m -51.64 -22.91 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 94' ' ' ILE . 26.7 mm -48.55 116.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.1 -39.65 2.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -67.64 162.24 24.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.9 160.93 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.453 ' CE1' HD11 ' A' ' 102' ' ' ILE . 29.5 t80 -38.18 -62.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -55.23 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.943 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -51.28 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.629 1.206 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 98' ' ' TYR . 30.9 m -47.38 -38.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.453 HD11 ' CE1' ' A' ' 98' ' ' TYR . 11.6 mm -59.99 -54.43 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.73 69.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.1 mt -51.42 -33.19 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.69 -46.54 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.92 -33.94 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.242 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -105.79 21.23 17.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 83.1 p -56.71 -20.4 21.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.8 t0 81.78 -152.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -47.24 -60.2 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.782 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -107.54 -175.72 2.87 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.625 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -152.13 111.12 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.625 ' N ' HD22 ' A' ' 112' ' ' LEU . 19.6 tt0 -94.13 135.64 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' A' ' 14' ' ' LEU . 29.0 mt -127.02 -173.68 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -166.08 131.59 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.676 HG22 ' HG2' ' A' ' 10' ' ' LYS . 11.2 m -127.4 -164.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.438 ' HE3' ' HA ' ' A' ' 9' ' ' PRO . 3.2 mmt -141.57 87.92 10.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.5 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 17.9 Cg_endo -75.06 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.8 156.24 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -56.73 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 60.4 p -119.34 113.85 21.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.961 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -170.8 87.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.571 1.169 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -73.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.8 m 62.31 72.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.057 . . . . 0.0 110.011 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.81 165.67 23.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.635 1.209 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.581 1.175 . . . . 0.0 110.973 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.883 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -160.11 150.83 18.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 110.032 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 p -158.96 141.18 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.613 1.195 . . . . 0.0 109.965 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.34 152.17 26.09 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.91 96.94 1.78 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.961 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m 40.44 82.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.76 165.45 24.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.63 161.26 37.31 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.56 41.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HE2' ' CG2' ' A' ' 116' ' ' VAL . 7.3 tttt -90.56 152.16 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 m -135.37 131.18 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.605 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.37 125.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.7 m -101.1 153.14 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD11 HD12 ' A' ' 114' ' ' LEU . 4.4 mp -135.72 156.86 48.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -131.71 115.65 16.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.3 113.76 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.351 1.032 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 18' ' ' SER . 2.8 t -125.81 -53.39 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 17' ' ' THR . 94.1 p -164.94 150.65 9.88 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.496 1.123 . . . . 0.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.93 -178.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.41 75.25 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 24.5 m-85 45.34 67.82 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.747 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' PHE . . . 38.16 -94.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.169 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.714 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.2 p90 -45.92 173.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.453 ' O ' HD13 ' A' ' 25' ' ' LEU . 1.5 t -153.87 170.9 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.521 HD22 ' N ' ' A' ' 25' ' ' LEU . 1.0 OUTLIER -116.53 162.47 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -172.63 175.1 3.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 m170 59.05 80.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -106.74 -173.19 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.688 HD13 ' HG2' ' A' ' 59' ' ' PRO . 1.1 pp -117.91 178.71 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 31' ' ' TYR . 29.8 m -108.18 -128.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.499 ' N ' HG23 ' A' ' 30' ' ' VAL . 72.4 m-85 57.04 59.17 7.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -74.97 163.16 35.93 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.512 1.796 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.5 ' CG ' ' HB3' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.08 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 2.4 mt-10 -122.6 -51.22 1.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.3 t -133.53 33.59 3.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.937 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.5 ' HB3' ' CG ' ' A' ' 33' ' ' PRO . . . -79.95 58.08 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -78.52 120.67 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -80.07 61.67 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 42.95 84.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.4 t 51.62 99.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.942 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.78 175.07 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 138.01 23.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 178.5 110.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 155.81 48.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -174.99 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -172.55 126.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.52 -158.44 25.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.84 116.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -129.52 149.61 51.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.82 -106.64 0.25 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.3 129.18 4.35 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.74 96.73 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.529 0.782 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -112.62 89.13 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.573 ' C ' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER 24.14 83.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.68 147.72 45.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.61 73.07 0.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 52.99 79.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.09 160.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.688 ' HG2' HD13 ' A' ' 29' ' ' ILE . 18.5 Cg_endo -74.99 -160.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.82 -54.55 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -40.67 152.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.651 HG22 ' HE1' ' A' ' 64' ' ' PHE . 13.3 t -137.47 -152.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.8 mp -78.53 103.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.584 1.178 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.651 ' HE1' HG22 ' A' ' 62' ' ' THR . 7.8 m-85 -111.39 132.97 54.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 ' O ' ' A' ' 80' ' ' CYS . 80.7 t -51.87 156.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.9 OUTLIER -122.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.11 162.78 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 23.9 t -134.58 108.63 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -40.15 121.95 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.67 76.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.446 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 116.38 32.22 1.68 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -107.3 -154.78 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.458 ' HG3' HG22 ' A' ' 17' ' ' THR . 18.4 Cg_endo -75.02 -68.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.586 1.835 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -44.25 -38.51 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.446 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 25.0 t80 -60.45 -40.35 90.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 2.3 mm-40 -69.13 -49.09 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.72 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.38 15.42 38.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.339 1.025 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.605 ' CD1' HG21 ' A' ' 12' ' ' VAL . 3.3 tp -64.52 154.59 35.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.635 ' O ' HG11 ' A' ' 65' ' ' VAL . 16.6 p -141.91 -164.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 157.48 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.54 -31.15 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.6 ' O ' HG23 ' A' ' 65' ' ' VAL . 25.8 m-20 -59.04 128.87 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 19.8 ptt180 -94.62 148.81 21.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.506 HD13 HG12 ' A' ' 116' ' ' VAL . 36.0 mm -82.41 129.81 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.819 HG21 ' HG3' ' A' ' 117' ' ' MET . 34.6 pt -111.86 -34.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.696 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.27 163.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 87' ' ' LYS . 56.0 t -157.64 104.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.46 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 0.9 OUTLIER 58.96 39.96 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.3 21.7 9.03 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.554 1.158 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -15.4 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 0.731 . . . . 0.0 110.233 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t 61.33 105.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.537 ' O ' HG23 ' A' ' 93' ' ' VAL . 13.8 m -89.77 48.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.1 mm -95.01 102.93 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.37 -45.83 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.587 1.179 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -42.65 151.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 11.4 t -85.47 -154.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.445 ' CE1' HD11 ' A' ' 102' ' ' ILE . 22.6 t80 -83.59 -51.97 6.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -44.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.06 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -52.1 -66.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 63' ' ' ILE . 34.8 m -52.89 -38.05 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.445 HD11 ' CE1' ' A' ' 98' ' ' TYR . 3.7 mm -58.42 -46.83 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.403 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -62.25 -32.71 73.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.419 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 10.5 mt -64.95 -29.34 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.612 HG23 ' HG ' ' A' ' 112' ' ' LEU . 13.0 mt -84.3 -36.57 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -78.9 -24.1 44.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.524 ' OD1' ' C ' ' A' ' 107' ' ' ASN . 41.3 p30 -99.65 -0.37 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.689 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.5 OUTLIER -71.42 -6.33 39.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.9 t70 76.84 -156.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.5 m -53.9 -60.73 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 155.49 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.412 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.689 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.7 OUTLIER -152.2 120.33 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.574 ' N ' HD22 ' A' ' 112' ' ' LEU . 39.8 tt0 -98.25 148.23 23.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.714 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 24.5 mt -131.53 -179.48 5.39 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -163.06 125.26 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.648 HG23 ' HD3' ' A' ' 118' ' ' PRO . 10.3 m -125.26 -174.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.819 ' HG3' HG21 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -144.9 82.29 10.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.638 1.211 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.648 ' HD3' HG23 ' A' ' 116' ' ' VAL . 18.4 Cg_endo -74.95 -178.19 3.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.593 1.839 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.76 144.45 22.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.6 t70 63.41 102.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.9 m -40.8 -72.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.88 -141.41 15.44 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 134.81 18.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.4 1.737 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.84 177.22 4.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.9 83.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 t -150.04 94.63 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.97 170.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.923 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.41 108.97 1.44 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -149.85 150.91 32.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 0.802 . . . . 0.0 109.96 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m 51.18 91.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.99 65.45 0.06 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.49 -147.06 16.27 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.55 ' CD ' ' CG2' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -105.61 128.21 53.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.5 m -116.95 130.78 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.584 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -138.46 143.84 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 3.7 m -111.43 155.42 23.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.632 HD11 HD12 ' A' ' 114' ' ' LEU . 5.5 mp -139.6 130.5 26.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' HG3' ' CG2' ' A' ' 111' ' ' THR . 0.0 OUTLIER -97.73 113.68 25.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 110' ' ' THR . 0.1 OUTLIER -41.05 111.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.1 p -72.21 -28.69 63.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 t -172.24 -75.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 0.0 110.019 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.76 -67.61 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 21' ' ' PHE . . . -87.54 -121.16 1.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 37.2 m-85 -163.89 162.18 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.407 0.71 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -46.36 -91.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.686 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 3.3 p90 -45.88 170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.73 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.559 HG22 ' HG3' ' A' ' 67' ' ' GLN . 14.0 t -145.48 162.31 37.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.539 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -109.35 172.84 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.57 139.49 51.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 110.254 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CG ' ' CD2' ' A' ' 98' ' ' TYR . 45.5 t-80 -178.14 102.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.578 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -119.33 -33.84 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 111.065 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.737 ' O ' HG12 ' A' ' 30' ' ' VAL . 38.6 mt -34.12 -51.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 29' ' ' ILE . 8.0 p 50.19 177.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.672 ' H ' HG22 ' A' ' 30' ' ' VAL . 26.9 m-85 -149.34 91.38 4.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.36 33.52 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.511 1.795 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 18.2 Cg_endo -75.02 -0.11 9.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 3.9 tt0 85.97 -45.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 5.1 t -128.77 115.27 17.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 177.8 108.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.9 mt -87.5 -9.99 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.3 139.83 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -55.35 156.62 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.35 175.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.066 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.564 ' CD1' ' C ' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -85.67 44.0 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -113.34 92.0 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.48 -57.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -142.23 162.64 34.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.68 102.47 11.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -163.6 148.44 10.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.359 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.91 119.88 0.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -121.68 -59.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.52 136.12 2.56 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.391 1.057 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.82 120.78 0.59 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.59 107.94 1.64 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.54 99.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 0.738 . . . . 0.0 109.332 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -176.69 -61.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mtm-85 -85.03 166.35 16.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -149.53 149.54 30.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -146.97 160.82 41.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.34 76.05 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -90.67 157.19 44.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.507 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.96 -161.09 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.429 ' O ' HD12 ' A' ' 29' ' ' ILE . 5.8 mtt -139.1 178.41 7.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 111.06 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HB2' HD12 ' A' ' 29' ' ' ILE . 35.2 t70 -178.06 94.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -54.99 166.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.655 HG22 HG12 ' A' ' 85' ' ' ILE . 2.7 mp -90.57 104.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.0 m-85 -121.79 130.48 53.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.629 1.205 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 83' ' ' ASP . 80.4 t -51.76 147.45 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HB3' HG23 ' A' ' 24' ' ' THR . 6.6 tttp -117.5 -49.15 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.067 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.559 ' HG3' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -142.14 167.26 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.46 114.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 1.5 tptp -57.88 115.98 3.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 92.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.44 19.08 7.23 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.401 1.063 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.72 -159.78 27.75 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.33 -47.36 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.86 -46.27 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.5 mm-40 -73.23 -50.19 23.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.186 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -45.48 -26.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 103.02 21.05 10.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.584 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -79.17 162.96 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 0.811 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.633 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -150.53 -160.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.33 160.89 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.6 62.54 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.0 m-20 -86.69 121.76 29.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 0.812 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 19.8 ptt180 -94.0 150.11 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.238 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.655 HG12 HG22 ' A' ' 63' ' ' ILE . 13.3 mm -90.89 141.01 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.218 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.861 ' O ' HG22 ' A' ' 93' ' ' VAL . 6.7 pt -121.53 -41.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.608 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.7 mttt -125.49 161.53 26.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' GLU . 38.7 t -150.73 118.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 48.39 27.74 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.41 33.13 85.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.429 1.081 . . . . 0.0 111.077 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -108.12 -7.18 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 0.0 110.251 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m 62.46 144.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.053 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 86' ' ' ILE . 10.5 m -100.43 -25.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.8 mp -51.72 122.48 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.07 -23.18 36.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.69 ' HE2' HD11 ' A' ' 104' ' ' LEU . 36.0 mttp -81.3 156.83 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 97' ' ' THR . 13.3 t -114.8 62.38 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.543 ' O ' HG22 ' A' ' 101' ' ' VAL . 24.0 t80 55.53 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.393 1.058 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -35.61 -34.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 11.6 mt-30 -63.81 -57.39 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 98' ' ' TYR . 13.9 m -63.21 -31.32 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.438 HD11 ' CE1' ' A' ' 98' ' ' TYR . 14.0 mm -54.83 -49.91 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -56.17 -44.89 79.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.69 HD11 ' HE2' ' A' ' 96' ' ' LYS . 47.6 mt -52.13 -42.9 63.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.7 mt -67.22 -45.33 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.221 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.02 -30.19 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 103' ' ' ALA . 34.5 m-80 -113.65 28.19 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.801 ' OG ' HD23 ' A' ' 112' ' ' LEU . 1.9 m -77.01 -0.1 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.05 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 108' ' ' SER . 5.6 t70 84.15 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 88.1 m -41.05 -36.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.609 1.193 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.498 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -116.3 177.49 4.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.372 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.801 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -156.49 111.94 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.687 ' N ' HD22 ' A' ' 112' ' ' LEU . 25.7 tt0 -90.28 128.53 36.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.686 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 28.6 mt -108.28 172.09 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -149.88 117.42 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.601 HG23 ' CD ' ' A' ' 118' ' ' PRO . 34.0 m -130.8 174.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.671 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -141.58 49.25 1.4 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.671 ' HD3' ' N ' ' A' ' 117' ' ' MET . 18.5 Cg_endo -74.91 160.19 40.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.61 33.58 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -85.15 105.78 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.61 -48.73 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.45 175.16 49.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.508 1.794 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 t 72.42 -61.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.9 t -148.75 144.95 27.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.429 1.081 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -153.52 -62.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.994 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.78 155.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.11 -179.38 51.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -140.95 155.47 46.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 0.719 . . . . 0.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.76 102.82 2.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.949 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.13 176.01 0.59 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.91 -76.2 0.34 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 166.65 28.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.719 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -126.82 119.22 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 m -96.87 129.74 44.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.657 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -127.64 141.87 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 39.8 m -110.01 147.48 33.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.603 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.8 mp -133.81 160.47 37.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.91 ' O ' HG23 ' A' ' 17' ' ' THR . 14.7 mttt -129.04 120.83 26.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 5.3 ttt180 -38.13 111.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 15' ' ' LYS . 4.6 p -122.06 -51.86 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 110.462 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 p -120.26 -174.88 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.912 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.55 -58.63 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.38 49.97 0.86 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.432 1.083 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 99.6 m-85 50.8 178.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -56.11 -78.27 0.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.545 1.153 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.679 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.2 p90 -51.09 172.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.546 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -158.03 160.49 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -110.35 176.24 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -117.39 167.89 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 28' ' ' PHE . 39.4 m80 -94.58 41.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.633 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.821 ' O ' HG13 ' A' ' 30' ' ' VAL . 4.3 p90 -48.5 179.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.923 HG23 ' CE1' ' A' ' 31' ' ' TYR . 14.4 mt -63.52 100.68 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.215 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 28' ' ' PHE . 1.3 m -110.17 -26.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.923 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.1 m-85 54.26 67.84 3.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.484 ' HD3' HG22 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.95 148.64 35.8 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.0 172.61 16.03 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.08 157.23 20.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.219 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 t 39.88 34.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.083 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 33' ' ' PRO . . . -109.32 73.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.383 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 38' ' ' GLN . 42.7 mm -105.73 -99.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' N ' HG22 ' A' ' 37' ' ' ILE . 2.6 mp0 65.38 75.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -99.38 156.86 16.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.56 106.72 18.74 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -168.22 -67.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.59 57.75 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.58 165.78 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -112.94 151.65 30.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -43.75 164.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 56.21 102.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.89 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -160.96 -55.81 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.86 170.0 21.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.08 -118.57 0.73 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.69 160.74 4.48 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -176.09 130.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.208 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -175.25 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -132.07 44.21 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -135.36 98.7 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -177.52 163.44 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.14 179.65 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.222 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -178.72 157.42 0.97 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.59 1.181 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.561 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.96 -58.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.551 1.816 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -164.63 165.95 20.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -151.16 88.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.211 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 22.8 m -143.25 164.38 30.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.536 HG22 HG12 ' A' ' 85' ' ' ILE . 2.5 mp -120.13 139.6 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.618 1.199 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 84' ' ' ARG . 31.7 m-85 -135.42 139.34 44.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.645 HG11 ' O ' ' A' ' 80' ' ' CYS . 40.1 t -66.07 138.88 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HD2' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -93.42 -54.65 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -151.68 172.38 16.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.473 HG21 ' HA ' ' A' ' 80' ' ' CYS . 76.6 t -131.83 127.68 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 30.0 tptt -69.55 113.92 7.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.68 91.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.24 28.03 3.72 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.574 1.171 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.62 -160.72 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -62.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -44.93 -51.7 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -48.12 -46.75 34.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -71.61 -51.97 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -44.19 -27.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' NZ ' ' A' ' 10' ' ' LYS . . . 105.06 23.95 7.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.657 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -82.96 165.64 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.645 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -156.12 -160.8 1.04 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 0.0 108.375 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 156.42 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.61 -22.97 14.19 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -70.23 131.59 44.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 64' ' ' PHE . 3.2 mtm180 -100.06 149.35 23.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.536 HG12 HG22 ' A' ' 63' ' ' ILE . 15.0 mm -84.3 137.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.68 ' O ' HG22 ' A' ' 93' ' ' VAL . 20.4 pt -120.88 -40.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.569 ' O ' HG23 ' A' ' 88' ' ' VAL . 4.0 mttt -129.7 158.93 38.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 87' ' ' LYS . 54.1 t -157.58 137.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 m120 45.11 40.84 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.391 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.76 34.02 50.09 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -116.28 160.08 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.225 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -95.72 102.67 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 86' ' ' ILE . 12.2 m -92.16 37.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.86 87.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.09 -38.09 2.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -44.59 153.48 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 100' ' ' GLN . 5.2 t -95.36 149.77 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.988 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 68.7 t80 -39.26 -46.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -52.1 -44.29 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 97' ' ' THR . 47.8 mt-30 -61.71 -68.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.531 HG12 ' CG1' ' A' ' 93' ' ' VAL . 11.2 m -46.9 -39.67 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.988 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 2.0 mm -50.39 -48.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.17 87.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 mt -47.7 -38.02 14.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 47.7 mt -74.69 -49.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -58.07 -23.58 55.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -110.24 16.77 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 77.2 p -61.97 -15.79 46.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 75.23 -157.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -46.36 -61.28 1.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.755 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -95.41 176.0 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.628 1.205 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -155.0 109.6 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.635 ' N ' HD22 ' A' ' 112' ' ' LEU . 30.6 tt0 -92.79 138.82 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.679 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 18.3 mt -126.88 177.26 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -160.12 132.82 6.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.719 HG22 ' HG2' ' A' ' 10' ' ' LYS . 10.9 m -134.16 -175.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.65 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -125.99 86.18 58.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.595 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.16 164.26 33.41 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.378 1.725 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.73 164.08 15.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.1 137.43 58.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.91 128.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -177.91 154.02 14.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 137.64 22.05 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.33 -61.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.067 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.35 -58.4 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.43 1.082 . . . . 0.0 111.04 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -55.05 130.56 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.01 132.88 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.85 -71.35 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.6 1.187 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.0 111.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 0.715 . . . . 0.0 110.029 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -50.32 122.58 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.44 110.33 1.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.65 112.27 1.55 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 18.2 Cg_endo -74.97 150.82 38.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.435 1.755 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 116' ' ' VAL . 4.9 tttt -93.87 128.2 40.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -117.7 146.66 43.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -141.9 129.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.35 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -98.98 148.35 24.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' CE1' ' A' ' 23' ' ' PHE . 5.4 mp -134.42 156.92 47.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.64 ' HG2' HG22 ' A' ' 111' ' ' THR . 6.1 mttp -126.94 123.23 36.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -47.2 111.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -119.35 125.02 48.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.18 -79.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.99 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.95 -55.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.85 -168.43 43.95 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.42 1.075 . . . . 0.0 110.999 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 15.8 m-85 -113.27 37.65 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . 73.59 -94.37 0.75 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.566 1.166 . . . . 0.0 110.955 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.683 ' CE1' HD22 ' A' ' 14' ' ' LEU . 18.0 p90 -48.06 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.79 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.552 HG22 ' CG ' ' A' ' 67' ' ' GLN . 12.7 t -141.1 162.34 35.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.609 1.193 . . . . 0.0 110.385 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.3 mm? -108.39 176.54 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.29 132.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -159.88 -177.09 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 109.627 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -141.92 -47.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.712 HG23 ' HG2' ' A' ' 59' ' ' PRO . 9.9 mm -40.73 102.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.773 HG22 ' N ' ' A' ' 31' ' ' TYR . 1.8 p -93.79 -105.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.773 ' N ' HG22 ' A' ' 30' ' ' VAL . 21.6 m-85 60.58 101.87 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 168.52 24.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.93 -70.67 0.28 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.434 1.084 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.7 t -141.09 39.35 1.77 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.435 1.084 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.48 64.12 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.7 mt -102.45 -14.6 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.7 163.36 16.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -119.31 -59.69 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.89 153.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.051 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.63 158.49 17.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 149.45 50.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.603 1.189 . . . . 0.0 109.204 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.55 134.52 28.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.52 82.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 177.92 73.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.199 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 176.77 167.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.06 -60.16 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -62.86 153.44 33.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 177.08 156.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.388 1.055 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.02 154.98 6.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.22 -149.17 8.95 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.82 60.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 65.65 134.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 110.261 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -148.1 135.65 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 110.27 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 179.22 155.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -132.06 163.53 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 74.84 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -72.17 156.9 90.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.712 ' HG2' HG23 ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.09 -48.35 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.68 ' O ' HG21 ' A' ' 29' ' ' ILE . 5.4 mtm -168.37 103.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.39 106.14 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 m -145.95 154.32 41.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mp -115.93 137.42 49.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -140.92 141.33 34.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 80' ' ' CYS . 71.7 t -67.39 149.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -119.1 -44.7 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.552 ' CG ' HG22 ' A' ' 24' ' ' THR . 1.1 pp0? -140.09 163.52 32.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' GLU . 12.7 t -137.39 107.93 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 3.6 tmtt? -42.39 98.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' VAL . 6.8 tt0 -59.27 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.553 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.59 24.3 5.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.22 -150.14 13.59 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -68.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -43.29 -45.12 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.553 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 16.0 t80 -52.13 -50.87 60.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.53 -49.82 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.54 -23.02 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.74 21.82 20.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.654 ' CD1' HG21 ' A' ' 12' ' ' VAL . 3.1 tp -70.04 163.02 27.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.625 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -148.5 -164.82 2.11 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 m -104.29 156.9 17.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.96 -19.77 28.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -64.89 153.15 41.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.781 . . . . 0.0 109.307 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.34 135.87 53.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 116' ' ' VAL . 1.4 mp -82.5 118.42 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.739 HD12 ' HE3' ' A' ' 87' ' ' LYS . 34.5 pt -99.36 -29.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.739 ' HE3' HD12 ' A' ' 86' ' ' ILE . 19.7 mttt -130.17 165.46 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.599 HG12 ' CG ' ' A' ' 89' ' ' ASN . 77.2 t -155.52 117.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.197 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.599 ' CG ' HG12 ' A' ' 88' ' ' VAL . 0.2 OUTLIER 39.09 57.38 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 39.96 36.4 0.82 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' VAL . 3.4 tm-20 -108.5 -26.53 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.27 128.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.637 ' O ' HG23 ' A' ' 93' ' ' VAL . 8.7 m -109.53 54.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.08 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.65 -36.26 4.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -44.34 136.96 3.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 0.756 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -88.63 158.4 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.621 ' CE1' HD11 ' A' ' 102' ' ' ILE . 14.8 t80 -40.7 -54.34 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -53.06 -44.0 67.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.939 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -61.49 -65.58 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.456 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 18.4 m -48.02 -46.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.366 1.041 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.621 HD11 ' CE1' ' A' ' 98' ' ' TYR . 2.4 mm -42.67 -46.09 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.1 -38.21 50.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.416 ' O ' ' OG ' ' A' ' 108' ' ' SER . 46.7 mt -73.84 -46.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -61.52 -27.32 68.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -101.72 8.63 41.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.54 ' HG ' ' HE2' ' A' ' 21' ' ' PHE . 90.6 p -60.23 -14.68 18.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.1 t70 79.72 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 m -51.95 -59.96 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -92.95 165.48 12.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -148.88 109.97 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 0.0 109.38 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.627 ' N ' HD22 ' A' ' 112' ' ' LEU . 28.9 tt0 -95.12 139.94 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' A' ' 14' ' ' LEU . 11.7 mt -128.77 176.46 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 m -153.5 123.8 7.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 85' ' ' ILE . 17.6 m -124.52 176.68 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.413 ' HG2' ' C ' ' A' ' 116' ' ' VAL . 1.5 mmt -133.24 90.07 31.26 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.467 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 169.48 22.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.747 . . . . 0.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -140.2 -64.54 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -103.81 114.05 28.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 m -75.18 -62.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 72.68 121.48 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.18 97.49 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 p 177.35 158.21 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 55.5 p -147.24 116.33 6.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.003 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -40.05 107.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.52 168.64 26.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.54 -105.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 158.66 16.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 0.706 . . . . 0.0 110.053 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.49 98.32 8.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.44 93.04 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.412 1.07 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.84 -78.99 0.03 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -174.27 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.413 1.744 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.646 ' HD3' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -120.62 132.42 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -103.82 146.73 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.77 128.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.182 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 36.1 m -107.96 159.16 16.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.454 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.0 mp -141.1 149.24 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' HG22 ' A' ' 111' ' ' THR . 1.1 mmmm -131.92 113.68 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -43.73 112.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -121.0 -43.16 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.342 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 p -163.2 119.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.899 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLY . 0.6 OUTLIER 63.82 -172.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -36.43 -83.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 17.5 m-85 -164.15 -172.84 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' CA ' ' HD2' ' A' ' 73' ' ' PRO . . . -80.28 6.03 61.64 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.821 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 5.3 p90 -145.48 172.77 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.573 HG23 ' HB3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -156.64 157.6 35.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.51 179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.06 127.64 56.27 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -110.82 133.39 53.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.651 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.63 -150.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.501 HG22 ' CE2' ' A' ' 31' ' ' TYR . 3.1 mt 52.7 92.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.24 151.37 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.501 ' CE2' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -140.06 95.34 8.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.638 1.211 . . . . 0.0 111.064 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 18.2 Cg_endo -74.98 155.72 43.01 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 32' ' ' PRO . 18.6 Cg_endo -74.94 -62.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.25 -52.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 t -127.53 -53.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.47 105.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.4 mm -59.63 124.2 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.396 1.06 . . . . 0.0 109.355 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.71 146.23 55.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -108.33 129.67 55.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 23.2 t -113.76 172.44 6.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 40' ' ' SER . 0.5 OUTLIER 39.59 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.0 74.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 t0 175.53 139.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.385 1.053 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.76 107.73 11.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 41.6 -162.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 110.259 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p30 178.14 177.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.393 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.53 -136.18 0.09 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.593 1.183 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -171.92 139.88 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.12 142.41 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.25 124.94 7.99 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.436 1.085 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.37 56.52 0.56 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -123.75 89.31 3.07 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASN . 2.8 mt-30 -116.11 92.69 3.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER 64.06 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.246 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.9 OUTLIER 79.1 155.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.79 -164.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 57' ' ' LEU . 5.5 mp -83.41 70.49 10.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 7.1 pt-20 -42.97 165.4 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.581 1.176 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 58' ' ' GLU . 18.3 Cg_endo -74.98 -65.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.439 1.757 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 73.4 88.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.068 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.402 ' HB2' HD13 ' A' ' 29' ' ' ILE . 25.3 t0 -112.13 168.35 9.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.531 ' HB ' ' CE2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -80.14 170.68 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 110.326 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.491 HG21 HG12 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -86.05 -64.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.531 ' CE2' ' HB ' ' A' ' 62' ' ' THR . 15.5 m-85 55.52 112.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 83' ' ' ASP . 29.1 t -54.74 132.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -75.49 -62.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.608 1.192 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -151.14 178.5 9.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.74 131.14 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -76.39 136.34 39.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 94.88 7.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.4 37.51 0.92 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.56 -168.93 13.11 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.87 -58.81 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -40.88 -50.4 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.4 mm-40 -62.84 -54.82 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -40.5 -32.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.43 9.54 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.537 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.4 tp -66.74 160.75 25.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.55 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -157.81 -162.05 1.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.29 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.0 p -102.75 130.86 49.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.17 -27.63 11.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 65' ' ' VAL . 20.1 m-20 -67.15 122.8 18.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.448 ' O ' HG12 ' A' ' 116' ' ' VAL . 8.1 ptp180 -94.32 151.24 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 116' ' ' VAL . 17.4 mm -88.02 138.0 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.712 ' O ' HG22 ' A' ' 93' ' ' VAL . 10.3 pt -117.39 -35.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HE3' ' CG1' ' A' ' 86' ' ' ILE . 1.4 mttt -134.37 163.9 28.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' GLU . 77.3 t -148.21 124.9 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 45.18 27.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.24 97.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -102.19 -6.01 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 110.351 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t 58.27 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 86' ' ' ILE . 11.4 m -99.27 26.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mm -62.82 -33.18 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.99 36.6 3.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -122.95 155.39 36.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.721 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.56 168.04 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.596 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 55.4 t80 -49.62 -61.42 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -34.91 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -69.68 -72.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.661 HG12 ' CG1' ' A' ' 93' ' ' VAL . 33.6 m -47.18 -38.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.225 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.596 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 8.3 mm -47.52 -54.88 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -58.51 -44.24 89.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.3 mt -52.98 -37.31 61.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 mt -74.69 -46.72 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -64.44 -24.48 67.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.7 m-80 -113.97 25.53 11.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.613 ' OG ' HD23 ' A' ' 112' ' ' LEU . 3.3 m -78.23 -12.53 60.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.925 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 110' ' ' THR . 10.8 t70 75.37 -175.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 26.3 m -37.66 -61.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.481 HG22 ' CD ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -86.52 162.87 17.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.613 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -159.93 109.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.568 ' N ' HD22 ' A' ' 112' ' ' LEU . 31.1 tt0 -90.18 131.07 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.821 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 34.5 mt -114.23 166.17 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 1.1 m -143.95 127.4 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.977 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.68 HG23 ' HD3' ' A' ' 118' ' ' PRO . 35.4 m -135.09 -167.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.204 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.595 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -163.98 54.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.68 ' HD3' HG23 ' A' ' 116' ' ' VAL . 17.8 Cg_endo -75.09 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 120' ' ' ASP . 10.4 tttt -154.73 -76.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.333 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.445 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 4.1 t0 -60.06 99.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.211 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.93 167.59 11.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.062 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 151.99 111.71 0.5 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 159.32 41.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.05 160.25 43.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.2 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.932 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.36 92.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 0.815 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -175.22 161.05 2.77 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.17 179.54 45.45 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.11 168.74 6.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 0.707 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.57 160.6 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.12 98.15 0.66 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.21 -59.46 0.68 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -165.29 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HG2' HG23 ' A' ' 116' ' ' VAL . 14.0 tptt -132.35 142.46 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 95.0 m -127.97 139.79 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.342 1.026 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.65 122.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 32.9 m -96.99 158.04 15.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 114' ' ' LEU . 4.0 mp -144.38 164.04 31.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 17' ' ' THR . 13.6 mttt -123.85 129.78 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 11.0 ttt180 -45.12 112.2 0.41 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 110.235 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.5 p -127.55 -170.13 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -52.91 -173.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.953 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.19 103.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.77 135.67 9.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.645 ' CE2' ' CB ' ' A' ' 112' ' ' LEU . 10.2 m-85 -90.57 41.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 68' ' ' VAL . . . 82.08 11.68 82.09 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.584 ' HE2' HD11 ' A' ' 25' ' ' LEU . 1.2 p90 -168.22 170.39 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.693 HG22 ' HG2' ' A' ' 67' ' ' GLN . 2.5 t -144.88 162.21 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.584 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.9 mm? -109.72 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -150.41 176.54 10.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 68.51 119.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -125.54 28.62 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.521 HG22 ' HE1' ' A' ' 31' ' ' TYR . 6.6 mt -72.45 87.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.691 HG23 ' HD3' ' A' ' 32' ' ' PRO . 4.7 m -96.35 169.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 30' ' ' VAL . 12.9 m-85 -153.95 60.06 2.81 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.567 1.167 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.691 ' HD3' HG23 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -75.03 165.51 31.13 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -166.86 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.436 1.756 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.1 -60.83 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 t -127.28 -57.63 1.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 55.01 173.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 mt -87.56 135.31 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -48.63 65.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.199 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -177.76 157.68 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 111.063 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.0 p -170.01 96.1 0.27 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.53 1.144 . . . . 0.0 110.045 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 42' ' ' LYS . 41.7 t80 -169.56 151.34 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 1.7 mptt -82.83 -175.33 5.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -113.53 -61.17 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -110.69 -74.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 110.215 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.46 130.88 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 59.22 169.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.2 99.51 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.0 t30 179.51 92.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.88 170.57 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -179.33 168.43 39.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -176.1 -71.19 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mptt 64.67 -80.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.45 0.735 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' GLY . 38.3 mt-30 60.81 175.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 63.45 170.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.231 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.84 101.74 6.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' N ' ' CD ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -179.2 141.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -112.13 23.04 14.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 67.59 164.58 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.559 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.89 -47.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 111.033 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.5 mtt -145.07 -64.38 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t0 54.45 29.12 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.822 HG21 ' CZ ' ' A' ' 64' ' ' PHE . 29.9 m -91.42 161.84 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 110.39 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.666 HG22 HG12 ' A' ' 85' ' ' ILE . 2.7 mp -127.67 77.09 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.371 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.822 ' CZ ' HG21 ' A' ' 62' ' ' THR . 71.2 m-85 -84.33 124.96 31.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 83' ' ' ASP . 41.4 t -54.4 123.69 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 0.0 109.393 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.615 ' HB3' HG23 ' A' ' 24' ' ' THR . 8.9 tptt -77.29 -55.15 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.693 ' HG2' HG22 ' A' ' 24' ' ' THR . 2.5 pt20 -149.5 -179.64 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 18.9 t -145.8 110.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -46.22 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -114.92 88.29 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.85 2.47 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 -167.33 20.24 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -57.73 -44.96 86.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.22 -44.54 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.6 mm-40 -71.67 -49.4 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -43.15 -27.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.92 11.67 22.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.573 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.8 tp -64.5 -176.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 0.724 . . . . 0.0 109.378 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.832 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -178.29 -161.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 108.268 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -103.75 133.16 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.32 -27.17 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.839 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -69.68 117.82 11.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.226 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -93.71 149.29 21.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.307 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 63' ' ' ILE . 10.6 mm -87.62 145.01 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.526 HD12 ' HE3' ' A' ' 87' ' ' LYS . 8.1 pt -122.48 -42.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.526 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.1 mttt -128.45 163.09 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.7 t -143.11 125.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 48.2 24.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.56 32.42 83.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -98.54 -27.51 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m 73.5 138.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.974 HG12 HG11 ' A' ' 101' ' ' VAL . 5.1 m -90.66 41.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -73.21 101.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.431 1.082 . . . . 0.0 109.171 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.74 6.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -44.39 161.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 97' ' ' THR . 13.9 t -131.17 59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.588 ' O ' HG22 ' A' ' 101' ' ' VAL . 9.8 t80 56.68 -78.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -37.35 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.3 mt-30 -64.95 -62.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.974 HG11 HG12 ' A' ' 93' ' ' VAL . 8.5 m -53.22 -37.17 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.488 HD13 ' HA ' ' A' ' 102' ' ' ILE . 12.1 mm -48.64 -50.3 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.44 74.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.5 mt -51.54 -41.88 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.42 -47.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.58 -40.22 86.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.96 22.91 10.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.045 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.485 ' CB ' HD23 ' A' ' 112' ' ' LEU . 47.3 p -51.22 -22.32 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.96 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' SER . 10.5 t0 80.58 -151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -42.77 -61.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.45 1.093 . . . . 0.0 110.355 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -116.54 170.29 8.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.645 ' CB ' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -134.8 113.05 11.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.406 1.066 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.54 ' N ' HD22 ' A' ' 112' ' ' LEU . 11.9 tt0 -94.1 134.15 36.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 14' ' ' LEU . 32.1 mt -119.76 159.97 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -134.74 122.97 22.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.626 HG23 ' HD3' ' A' ' 118' ' ' PRO . 27.6 m -129.34 -166.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.57 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -165.82 55.24 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD3' HG23 ' A' ' 116' ' ' VAL . 18.1 Cg_endo -75.03 169.47 22.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -141.59 -62.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.209 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.33 120.29 4.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.08 172.79 6.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -159.21 151.07 21.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.87 28.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.8 m -94.42 101.67 13.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.636 1.21 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.5 p -73.32 167.58 20.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.564 1.165 . . . . 0.0 110.934 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -99.05 80.15 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -167.12 128.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.043 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.05 93.65 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -163.81 139.63 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.031 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -164.99 152.41 11.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.87 126.58 2.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.53 -90.19 0.47 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 163.32 35.7 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -122.13 143.32 49.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.0 m -129.89 138.06 50.73 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -141.25 136.73 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.2 m -108.21 154.64 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 74' ' ' ALA . 4.6 mp -137.56 151.59 48.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -132.6 114.09 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -39.2 113.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 17' ' ' THR . 5.7 t -152.8 28.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 110.474 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.8 p -172.08 -172.14 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 110.076 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.72 -57.97 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.03 -62.19 0.38 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 6.2 m-85 -166.9 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 0.802 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.724 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . 174.87 37.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 38.2 p90 -177.37 -177.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 0.775 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.607 HG23 ' HB3' ' A' ' 66' ' ' LYS . 8.9 t -158.49 162.27 37.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.83 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.6 mm? -115.4 177.52 4.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -137.97 151.07 47.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' A' ' 28' ' ' PHE . 1.6 t-80 163.17 168.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.757 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.4 t80 173.52 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.401 HG22 ' CE1' ' A' ' 31' ' ' TYR . 4.3 mt -53.51 95.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.957 HG12 ' HD3' ' A' ' 32' ' ' PRO . 98.8 t -89.54 144.15 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CD1' ' HG3' ' A' ' 59' ' ' PRO . 2.7 m-85 -126.94 65.94 65.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.957 ' HD3' HG12 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -75.01 164.52 33.18 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' SER . 18.4 Cg_endo -74.93 52.85 3.14 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.58 1.832 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 61.44 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.212 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' PRO . 21.5 t -121.93 128.13 51.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 177.96 171.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.163 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.0 mm -51.21 132.07 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.377 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -57.15 -44.58 83.56 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -178.83 125.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.75 109.32 13.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.437 1.086 . . . . 0.0 109.942 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 135.56 40.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.33 -61.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -178.75 -54.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.82 101.07 8.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.49 127.87 33.85 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.514 1.133 . . . . 0.0 110.241 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -153.04 118.84 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.14 164.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t30 176.34 -55.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.369 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 169.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.75 -105.33 1.49 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.76 176.55 40.79 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -131.25 -65.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 0.803 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -55.76 165.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HD2' HD12 ' A' ' 57' ' ' LEU . 16.3 ttp-105 -179.62 135.42 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -116.62 -51.45 2.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -148.71 45.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.491 HD12 ' HD2' ' A' ' 54' ' ' ARG . 8.1 mp 67.34 72.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 57' ' ' LEU . 21.6 mt-10 56.45 163.1 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.588 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.99 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' MET . . . . . 0.482 ' CG ' ' O ' ' A' ' 60' ' ' MET . 4.3 ptp -87.81 72.9 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -60.02 84.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.53 ' CB ' ' CE2' ' A' ' 64' ' ' PHE . 1.5 p -123.5 167.35 14.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.465 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.83 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.1 mp -107.33 -63.95 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CE2' ' CB ' ' A' ' 62' ' ' THR . 25.3 m-85 57.72 117.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 83' ' ' ASP . 44.4 t -71.81 125.98 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.607 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -80.62 -57.11 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.57 ' HA ' HG22 ' A' ' 81' ' ' THR . 23.0 mt-30 -135.73 176.43 8.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 67' ' ' GLN . 4.0 t -154.48 113.46 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -39.86 136.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.37 98.25 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.47 33.17 3.7 Favored Glycine 0 CA--C 1.533 1.177 0 O-C-N 124.435 1.085 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.25 -157.91 10.5 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.18 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -40.19 -46.98 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.07 -55.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.9 mm-40 -65.27 -45.34 84.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.371 1.045 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.637 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -45.23 -26.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.247 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.91 6.58 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -68.37 -177.07 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.527 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER 179.36 -165.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 108.297 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 67' ' ' GLN . 51.9 p -103.27 134.11 47.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.99 -40.86 2.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 65' ' ' VAL . 45.6 m-20 -51.89 129.18 26.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 0.745 . . . . 0.0 109.219 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 24.3 ptt-85 -93.9 146.0 24.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.65 HD13 HG12 ' A' ' 116' ' ' VAL . 30.0 mm -83.73 132.95 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 0.823 HD12 ' HE3' ' A' ' 87' ' ' LYS . 41.1 pt -111.08 -35.58 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.823 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.9 mttt -135.99 165.44 25.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.422 HG23 ' C ' ' A' ' 87' ' ' LYS . 74.8 t -154.01 118.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.458 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 3.0 m-20 48.31 34.08 4.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.01 29.01 74.26 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.091 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.443 ' CB ' HD13 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -112.82 90.68 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 0.794 . . . . 0.0 110.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . 17.7 m -38.65 115.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.628 ' O ' HG23 ' A' ' 93' ' ' VAL . 12.1 m -78.43 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 109.375 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.24 126.62 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.4 13.99 82.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.584 1.178 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.739 ' HE2' HD11 ' A' ' 104' ' ' LEU . 53.5 mttp -97.43 158.96 15.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 97' ' ' THR . 12.4 t -119.25 60.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.763 ' O ' HG22 ' A' ' 101' ' ' VAL . 13.3 t80 56.15 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.9 OUTLIER -37.43 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.5 mm-40 -62.53 -55.86 23.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 98' ' ' TYR . 28.2 m -62.13 -29.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 102' ' ' ILE . 16.8 mm -58.82 -48.35 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -57.45 -31.64 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.739 HD11 ' HE2' ' A' ' 96' ' ' LYS . 26.1 mt -66.76 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.735 HG23 ' HG ' ' A' ' 112' ' ' LEU . 7.2 mt -78.65 -34.52 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -80.44 -26.67 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ASN . . . . . 0.552 ' OD1' ' C ' ' A' ' 107' ' ' ASN . 35.9 p30 -98.45 1.45 46.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.542 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -69.42 -12.69 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.4 t70 81.18 -152.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -55.01 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.13 165.46 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.735 ' HG ' HG23 ' A' ' 105' ' ' ILE . 1.5 tm? -160.48 114.53 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.468 ' N ' HD22 ' A' ' 112' ' ' LEU . 25.7 tt0 -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.675 HD12 HD11 ' A' ' 14' ' ' LEU . 27.0 mt -125.49 174.88 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.61 123.86 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.65 HG12 HD13 ' A' ' 85' ' ' ILE . 34.2 m -117.92 -178.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.604 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -126.41 98.0 33.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.009 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.81 26.17 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.96 -51.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -146.57 -55.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.3 p -44.21 163.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 114.36 89.21 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 151.03 38.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.99 -23.18 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 m -143.23 135.67 27.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 0.0 110.006 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.557 1.16 . . . . 0.0 111.062 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.76 79.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -156.67 115.62 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.27 125.23 5.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.39 89.49 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 0.812 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.87 -56.57 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.84 123.54 6.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.89 -142.48 16.12 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.4 Cg_endo -74.95 131.62 14.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.564 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -92.61 136.25 33.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -113.35 145.83 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -137.49 119.86 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 87.2 m -91.51 139.72 30.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.4 mp -124.13 164.25 19.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.838 ' HG2' HG22 ' A' ' 111' ' ' THR . 44.1 mttt -133.83 113.3 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 5.9 ttm-85 -53.53 123.74 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 15' ' ' LYS . 40.9 p -105.89 -28.19 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.376 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.23 -177.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -41.33 115.2 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 110.201 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.4 105.5 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.57 1.169 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 112' ' ' LEU . 7.0 m-85 -52.8 159.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' PHE . . . -36.65 -92.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.43 1.081 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.484 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.4 p90 -43.9 167.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.2 t -141.47 164.97 28.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -110.83 166.1 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.86 156.22 40.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 67.52 111.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.675 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -160.63 167.5 26.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.74 167.99 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.626 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.1 t -143.85 137.52 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 30' ' ' VAL . 58.1 m-85 -158.06 75.09 3.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HD3' ' CG1' ' A' ' 30' ' ' VAL . 18.0 Cg_endo -75.09 167.29 27.28 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 165.98 30.08 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 110.99 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -86.05 134.23 33.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.216 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 t 68.31 -61.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . -41.64 126.24 2.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.383 1.052 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.52 146.49 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.38 63.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.95 162.99 30.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.4 1.062 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.04 97.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.062 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -129.05 121.06 27.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 62.42 139.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.403 1.064 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 16.7 t0 -174.32 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER 51.29 175.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 59.66 150.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.97 163.9 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.473 1.108 . . . . 0.0 109.185 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.6 105.88 0.33 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.3 t30 173.44 125.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.84 161.73 30.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.3 68.49 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.63 -145.71 5.76 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.11 141.2 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -116.51 156.29 27.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -127.72 97.52 4.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 179.89 151.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -166.92 34.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.66 73.17 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.081 . . . . 0.0 109.21 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -140.69 156.95 68.83 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.514 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.92 -71.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.5 mtm 62.14 166.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -167.98 166.55 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.531 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 62.6 m -62.2 165.15 6.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.439 HG22 ' O ' ' A' ' 63' ' ' ILE . 1.8 mp -114.38 93.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 34.1 m-85 -91.42 146.53 23.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 83' ' ' ASP . 88.1 t -73.64 145.43 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.743 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -99.81 -47.68 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -157.85 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.238 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.17 116.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.93 153.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -96.82 74.72 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.24 32.44 2.57 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.56 -152.35 20.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -68.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.693 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -47.13 -44.6 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 76.0 t80 -51.5 -33.43 31.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -81.64 -55.42 4.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.42 -30.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.87 4.66 29.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.541 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.0 tp -51.52 -178.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.559 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -168.14 -164.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 p -103.77 131.68 50.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.135 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.45 -41.22 2.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ASP . . . . . 0.767 ' O ' HG23 ' A' ' 65' ' ' VAL . 70.8 m-20 -52.64 124.35 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -97.15 148.54 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mp -82.61 131.55 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.621 1.201 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ILE . . . . . 1.003 HD12 ' HE2' ' A' ' 87' ' ' LYS . 3.9 pt -112.36 -33.03 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 1.003 ' HE2' HD12 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -142.43 150.11 40.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.759 HG22 HD23 ' A' ' 114' ' ' LEU . 93.3 t -136.32 129.3 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ASN . . . . . 0.637 ' CG ' HG12 ' A' ' 88' ' ' VAL . 0.2 OUTLIER 33.21 44.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.42 51.82 5.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -108.37 -23.5 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER 85.33 111.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' VAL . . . . . 0.703 ' O ' HG23 ' A' ' 93' ' ' VAL . 4.0 m -135.51 53.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.49 -38.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.371 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -126.32 29.45 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -95.83 149.32 21.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.8 166.14 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.926 ' CE1' HD11 ' A' ' 102' ' ' ILE . 19.0 t80 -54.77 -64.02 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.33 -30.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -71.04 0.31 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' VAL . . . . . 0.454 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 33.8 m -50.03 -30.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.926 HD11 ' CE1' ' A' ' 98' ' ' TYR . 4.0 mm -56.6 -47.73 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.53 84.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.35 -29.23 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.43 -44.5 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.64 -29.12 70.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -102.28 11.37 38.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.563 ' OG ' ' CZ ' ' A' ' 21' ' ' PHE . 62.5 p -53.89 -20.09 5.48 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 2.9 t70 81.06 -151.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.8 m -53.58 -51.31 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' THR . . . . . 0.838 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -109.81 178.88 4.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -152.67 109.06 3.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.489 ' N ' HD22 ' A' ' 112' ' ' LEU . 35.4 tt0 -93.34 132.88 37.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LEU . . . . . 0.759 HD23 HG22 ' A' ' 88' ' ' VAL . 10.0 mt -128.82 168.6 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' SER . . . . . 0.456 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 8.7 t -143.49 127.33 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.564 HG22 ' HG2' ' A' ' 10' ' ' LYS . 3.4 m -118.34 -168.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' MET . . . . . 0.42 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 3.1 mmt -139.77 87.86 12.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' PRO . . . . . 0.481 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.4 Cg_endo -75.06 170.64 19.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 120' ' ' ASP . 9.4 tttt -153.2 -77.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -122.64 107.14 11.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.85 167.26 11.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 135.18 164.71 10.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.41 1.069 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 69.76 5.5 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.495 1.787 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.6 t -54.2 156.76 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 m -84.83 145.61 27.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.588 1.18 . . . . 0.0 110.939 -179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.949 0 N-CA-C 110.989 -0.427 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -88.2 144.06 26.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -133.43 138.68 46.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -138.37 129.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 26.3 m -103.15 141.61 35.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.565 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 5.1 mp -130.71 150.13 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 12.6 mttt -110.37 133.29 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.389 1.056 . . . . 0.0 110.323 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -66.59 -178.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.479 HG23 ' HB3' ' A' ' 66' ' ' LYS . 4.1 t -157.73 164.91 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -108.17 -179.75 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.477 HD11 HG21 ' A' ' 101' ' ' VAL . 1.1 mp . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 0.7 OUTLIER 61.16 134.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 66' ' ' LYS . 39.9 t -80.96 163.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HB3' HG23 ' A' ' 24' ' ' THR . 1.1 tttp -113.04 -62.24 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HA ' HG22 ' A' ' 81' ' ' THR . 3.2 mt-30 -141.49 170.87 14.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.7 111.93 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -45.27 161.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.97 90.87 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 28.64 3.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.63 -161.34 19.08 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -62.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . . . -45.23 -53.58 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -44.4 -44.87 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.4 mm-40 -71.62 -53.84 12.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.59 -30.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.69 18.39 9.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.612 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.8 tp -71.26 176.16 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 0.807 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 -164.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 108.353 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.555 HG22 ' HA ' ' A' ' 67' ' ' GLN . 47.0 p -103.18 133.03 48.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.43 -23.62 31.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -56.99 126.91 29.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 0.734 . . . . 0.0 109.386 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.553 ' HG2' ' CE1' ' A' ' 64' ' ' PHE . 10.4 mtt180 -93.5 142.35 27.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mm -83.95 134.27 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.509 HD12 ' HE3' ' A' ' 87' ' ' LYS . 28.0 pt -119.2 -39.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.509 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.6 mttt -134.94 161.21 35.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.6 t -150.75 126.16 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 49.99 56.76 7.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.57 26.79 0.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 131.76 55.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.87 108.16 5.0 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.588 1.18 . . . . 0.0 109.968 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.924 HG11 HG12 ' A' ' 101' ' ' VAL . 35.1 m -110.16 46.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.62 -55.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.77 8.25 70.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.561 1.163 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.413 ' HD2' HG12 ' A' ' 93' ' ' VAL . 47.0 mttm -84.51 155.8 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.958 HG22 ' HG3' ' A' ' 100' ' ' GLN . 14.5 t -99.72 157.63 16.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.417 ' HA ' HG22 ' A' ' 101' ' ' VAL . 67.8 t80 -51.79 -29.65 19.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.6 t -72.88 -15.65 61.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.958 ' HG3' HG22 ' A' ' 97' ' ' THR . 10.0 mt-30 -88.89 -59.92 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.924 HG12 HG11 ' A' ' 93' ' ' VAL . 21.3 m -51.08 -31.59 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mm -56.9 -54.52 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.71 -39.01 67.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.41 -44.24 92.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.0 mt -66.71 -31.65 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -81.73 -24.08 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.5 m-80 -97.94 19.51 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -63.15 -12.99 31.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.934 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' THR . 4.9 t0 61.26 -95.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 19.4 m -92.78 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 108' ' ' SER . 0.7 OUTLIER -108.83 170.0 8.32 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.474 HD11 HD21 ' A' ' 114' ' ' LEU . 0.5 OUTLIER -136.36 108.68 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.458 ' N ' HD22 ' A' ' 112' ' ' LEU . 24.8 tt0 -90.5 146.3 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 14' ' ' LEU . 12.7 mt -138.3 -172.16 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -167.92 135.65 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' ARG . 3.6 m -133.44 -163.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.364 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.533 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 2.2 mmt -143.07 103.35 5.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.84 139.12 24.34 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.48 1.779 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.183 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.595 ' HG2' HG22 ' A' ' 116' ' ' VAL . 1.8 ttpt -86.41 138.83 31.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.6 m -128.5 139.3 52.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -142.4 133.77 25.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -102.08 149.08 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 114' ' ' LEU . 5.2 mp -140.26 125.61 18.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.816 ' HG3' HG22 ' A' ' 111' ' ' THR . 0.0 OUTLIER -98.26 117.72 33.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.226 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.604 1.19 . . . . 0.0 110.26 -179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 110.906 -0.877 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.523 ' CE1' HD11 ' A' ' 114' ' ' LEU . 15.4 p90 -46.96 174.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 t -147.97 167.05 25.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.611 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.9 mm? -109.88 167.75 9.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.611 ' CG2' HD12 ' A' ' 25' ' ' LEU . 2.2 mp . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.271 -0.64 . . . . 0.0 109.271 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 58.0 158.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.781 HG11 ' O ' ' A' ' 80' ' ' CYS . 58.9 t -92.28 149.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -60.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.81 162.64 31.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.495 HG21 ' CA ' ' A' ' 80' ' ' CYS . 49.5 t -131.93 118.32 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -49.64 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.91 94.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.38 12.14 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.68 -154.09 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -64.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.606 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -42.17 -56.48 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -44.36 -48.11 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -71.66 -53.16 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.53 -30.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.17 7.88 15.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.672 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -68.63 176.56 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.811 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.781 ' O ' HG11 ' A' ' 65' ' ' VAL . 14.6 p -173.45 -155.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 108.259 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.5 p -103.48 132.49 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.21 -50.37 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.5 m-20 -50.46 135.5 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -113.68 145.21 41.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.529 HD12 HG12 ' A' ' 116' ' ' VAL . 1.5 mp -82.47 118.05 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.605 HD12 ' HE3' ' A' ' 87' ' ' LYS . 42.6 pt -105.01 -28.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.605 ' HE3' HD12 ' A' ' 86' ' ' ILE . 24.6 mttt -132.51 166.04 22.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' LYS . 38.9 t -152.32 115.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 73.0 m-20 53.57 32.13 13.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.9 5.16 88.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.679 ' OE1' HD22 ' A' ' 104' ' ' LEU . 4.3 tt0 -95.34 117.05 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 0.813 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 p -64.14 129.3 39.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.583 ' HB ' HG11 ' A' ' 101' ' ' VAL . 2.4 m -81.78 -23.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' VAL . 2.9 mp -40.43 116.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.79 -45.17 2.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 21.9 mttp -57.96 145.79 34.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.446 HG22 ' HG3' ' A' ' 100' ' ' GLN . 8.4 t -89.97 155.13 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.55 ' CE1' HD11 ' A' ' 102' ' ' ILE . 18.1 t80 -42.1 -42.63 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -45.08 93.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HG3' HG22 ' A' ' 97' ' ' THR . 1.9 mt-30 -56.34 -63.85 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.583 HG11 ' HB ' ' A' ' 93' ' ' VAL . 32.7 m -50.71 -42.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 98' ' ' TYR . 2.3 mm -51.08 -49.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.4 94.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.679 HD22 ' OE1' ' A' ' 91' ' ' GLU . 63.5 mt -56.77 -20.52 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 40.5 mt -92.2 -49.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.55 -41.9 99.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -87.4 10.41 17.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 19.3 t -70.58 -8.57 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.6 t0 81.47 -158.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 m -54.68 -61.37 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.816 HG22 ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -89.48 154.02 20.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.368 1.043 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.765 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -146.45 124.26 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.143 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.765 ' N ' HD22 ' A' ' 112' ' ' LEU . 23.9 tt0 -104.83 136.92 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.336 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 14' ' ' LEU . 9.9 mt -121.75 167.61 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.76 123.24 17.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.899 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.595 HG22 ' HG2' ' A' ' 10' ' ' LYS . 25.2 m -126.57 -175.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 1.1 mmt -131.39 107.94 14.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.638 1.211 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 172.97 15.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.58 1.831 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.0 tptt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.799 0 N-CA-C 110.992 -0.426 . . . . 0.0 110.992 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HE2' ' CG2' ' A' ' 116' ' ' VAL . 2.2 ttpt -103.08 140.0 37.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 94.0 m -125.52 139.98 53.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.615 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -141.81 141.92 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 4.9 m -113.1 158.26 20.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.3 mp -143.09 137.97 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 5.2 mttt -121.97 113.98 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.294 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.046 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.752 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 4.1 p90 -48.8 171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.5 t -158.3 156.09 30.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.649 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -109.94 161.58 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.2 mp . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.92 141.94 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.54 153.33 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HB3' HG23 ' A' ' 24' ' ' THR . 6.9 ttpt -110.46 -71.07 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.02 169.07 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -136.57 122.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -68.33 113.59 6.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.634 1.209 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.99 95.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.71 25.68 4.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.56 -157.41 18.8 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -60.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.72 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -49.93 -56.47 10.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -39.61 -44.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -67.33 -57.17 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.16 -31.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.88 6.08 28.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.615 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -52.08 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.418 ' N ' ' OD2' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -161.36 -170.43 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.0 p -103.17 136.39 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.48 5.09 67.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 80' ' ' CYS . 18.4 m-20 -70.7 138.48 50.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.41 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 21.8 ttt180 -93.77 129.22 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.672 HD13 HG12 ' A' ' 116' ' ' VAL . 47.4 mm -82.75 131.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.693 HG21 ' HG3' ' A' ' 117' ' ' MET . 20.3 pt -115.88 -40.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -135.04 164.88 26.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.591 1.182 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.622 HG22 HD23 ' A' ' 114' ' ' LEU . 2.7 t -150.7 100.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.502 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 1.1 m-20 70.56 37.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 15.34 71.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.87 141.86 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 m -81.24 117.92 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.0 m -67.28 -31.81 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.4 mp -50.63 104.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.05 24.1 4.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.524 ' HE2' HD11 ' A' ' 104' ' ' LEU . 34.2 mttp -125.24 170.07 11.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 97' ' ' THR . 5.0 t -132.41 48.77 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 97' ' ' THR . 4.8 t80 66.3 -63.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.503 ' OG ' HG23 ' A' ' 97' ' ' THR . 0.3 OUTLIER -48.27 -26.03 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.916 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 96' ' ' LYS . 40.2 mt-30 -77.98 -67.3 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.519 HG13 ' CD ' ' A' ' 96' ' ' LYS . 16.2 m -50.8 -36.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.13 -48.71 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -61.5 -38.31 86.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.524 HD11 ' HE2' ' A' ' 96' ' ' LYS . 83.8 mt -58.07 -29.83 65.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.647 HG23 ' HG ' ' A' ' 112' ' ' LEU . 19.8 mt -82.51 -46.74 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.55 -26.66 67.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ALA . 46.5 m-80 -107.83 24.14 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.68 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -86.99 -5.42 59.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 81.86 -157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -60.4 -40.61 91.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.147 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.46 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -101.2 155.07 18.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.68 HD23 ' OG ' ' A' ' 108' ' ' SER . 1.1 tm? -147.65 118.98 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.535 ' N ' HD22 ' A' ' 112' ' ' LEU . 2.0 tm-20 -101.23 143.53 31.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.392 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.752 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 13.7 mt -128.78 -169.09 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.39 133.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.672 HG12 HD13 ' A' ' 85' ' ' ILE . 12.2 m -135.34 -163.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.693 ' HG3' HG21 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -143.85 110.24 5.18 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.93 39.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt . . . . . 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.841 0 N-CA-C 110.978 -0.432 . . . . 0.0 110.978 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -89.67 147.15 24.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -135.39 134.41 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.382 1.051 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.737 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -139.34 143.86 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.5 m -117.78 146.35 43.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.739 HD21 ' HB2' ' A' ' 74' ' ' ALA . 6.1 mp -128.42 160.86 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.213 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.58 ' HG2' HG22 ' A' ' 111' ' ' THR . 7.0 mttm -123.65 129.04 50.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 23' ' ' PHE . . . . . . . . 0 CA--C 1.531 1.039 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.665 ' HE2' HD22 ' A' ' 14' ' ' LEU . 12.2 p90 46.36 178.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 111.075 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.942 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.5 t -158.71 162.24 37.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 110.362 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.548 HD21 ' HE1' ' A' ' 23' ' ' PHE . 1.4 mm? -112.37 169.59 8.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' ' 101' ' ' VAL . 2.6 mp . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 46.5 m-85 -82.47 131.11 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 80' ' ' CYS . 40.4 t -71.18 98.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.942 ' HB3' HG23 ' A' ' 24' ' ' THR . 3.8 tptt -44.35 -52.89 7.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.789 ' HA ' HG22 ' A' ' 81' ' ' THR . 1.3 mt-30 -159.78 -177.73 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.547 HG11 ' HA ' ' A' ' 75' ' ' PHE . 49.2 t -137.79 111.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -46.13 126.73 7.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.379 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 88.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.96 24.44 4.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.96 -169.12 29.61 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.987 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.739 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -67.27 -48.92 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.547 ' HA ' HG11 ' A' ' 68' ' ' VAL . 5.5 t80 -50.74 -42.84 57.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.7 mm-40 -67.56 -53.02 31.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.98 -27.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.39 6.8 31.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.737 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -55.56 161.5 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.496 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -134.96 -172.12 2.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.146 . . . . 0.0 108.36 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.789 HG22 ' HA ' ' A' ' 67' ' ' GLN . 33.1 p -103.43 136.12 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.472 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.33 15.37 64.46 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.42 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.405 ' OD2' ' C ' ' A' ' 80' ' ' CYS . 49.9 m-20 -82.46 136.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.498 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 14.5 mtp180 -93.85 131.39 39.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.588 HD13 HG12 ' A' ' 116' ' ' VAL . 19.8 mm -82.91 137.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 93' ' ' VAL . 31.9 pt -119.02 -40.59 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.525 ' HE3' HD12 ' A' ' 86' ' ' ILE . 5.2 mttt -129.38 158.87 37.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.644 HG22 HD23 ' A' ' 114' ' ' LEU . 87.2 t -157.07 128.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.402 HD21 HD23 ' A' ' 112' ' ' LEU . 25.9 m120 50.26 27.23 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.82 40.74 73.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.1 -4.09 18.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t 59.0 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.058 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.87 HG11 HG12 ' A' ' 101' ' ' VAL . 11.6 m -93.65 14.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.555 ' H ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -68.07 90.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.18 6.04 24.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.12 -172.95 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 t -123.64 158.73 30.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.473 ' HA ' ' CG2' ' A' ' 101' ' ' VAL . 8.3 t80 -44.84 -55.52 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -46.0 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -68.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.87 HG12 HG11 ' A' ' 93' ' ' VAL . 13.4 m -46.81 -34.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 mm -61.05 -60.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -47.91 -42.05 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.76 -38.04 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -76.32 -19.79 57.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 103' ' ' ALA . 65.2 m-20 -105.52 20.54 18.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.39 1.056 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 20.4 m -62.07 -13.78 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 110' ' ' THR . 11.8 t0 60.05 -96.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 91.2 m -92.66 -63.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.58 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -114.07 161.27 17.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.523 HD13 ' HG ' ' A' ' 114' ' ' LEU . 1.2 tm? -122.22 108.92 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.428 ' N ' HD22 ' A' ' 112' ' ' LEU . 36.7 tt0 -89.27 131.98 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.644 HD23 HG22 ' A' ' 88' ' ' VAL . 29.1 mt -124.48 179.08 5.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -166.79 130.95 2.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 85' ' ' ILE . 15.1 m -129.9 -173.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.608 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -131.26 97.55 19.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 149.19 36.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.066 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.897 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -95.37 139.35 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.392 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -124.91 143.67 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.547 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -144.96 123.9 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.674 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 24.5 m -95.5 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 13' ' ' THR . 5.6 mp -141.09 156.95 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 6.7 mttm -130.49 117.02 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.036 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 4.6 p90 -46.36 169.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.473 ' C ' HD13 ' A' ' 25' ' ' LEU . 7.1 t -156.38 156.19 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.605 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -109.15 169.35 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 98' ' ' TYR . 2.5 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -109.48 157.3 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.722 HG11 ' O ' ' A' ' 80' ' ' CYS . 78.6 t -79.51 149.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -112.64 -64.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.211 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -135.91 162.79 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.337 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -132.31 120.96 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -55.12 116.78 2.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.417 1.073 . . . . 0.0 109.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.69 92.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.65 33.74 2.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.62 -154.91 9.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -67.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -41.46 -50.71 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.02 -45.98 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -69.71 -53.27 19.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.5 -29.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.619 1.199 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.36 3.91 29.03 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.599 1.187 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.547 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.9 tp -54.89 -177.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.624 0.838 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.722 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -172.48 -164.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 p -103.9 133.3 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.12 -32.98 6.12 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 65' ' ' VAL . 42.5 m-20 -60.9 153.14 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' VAL . 1.5 ptt180 -124.8 143.83 50.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.578 HD12 HG12 ' A' ' 116' ' ' VAL . 1.1 mp -82.09 119.35 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.681 HD12 ' HE3' ' A' ' 87' ' ' LYS . 49.9 pt -98.0 -35.59 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.681 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.2 mttt -133.24 161.31 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.549 HG22 HD23 ' A' ' 114' ' ' LEU . 37.9 t -153.83 102.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 91' ' ' GLU . 16.0 m-20 68.06 71.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.32 25.27 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 1.1 mm-40 -120.28 128.24 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 1.9 m -91.31 30.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 92' ' ' SER . 10.3 m 40.63 32.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 92' ' ' SER . 44.1 mm -57.89 99.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.81 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.933 ' HZ1' HD21 ' A' ' 104' ' ' LEU . 26.2 mttt -40.85 124.15 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.421 HG22 ' HG3' ' A' ' 100' ' ' GLN . 6.4 t -76.18 171.9 13.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 63' ' ' ILE . 1.7 t80 -52.81 -33.04 47.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.583 1.177 . . . . 0.0 111.075 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 0.0 110.023 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.421 ' HG3' HG22 ' A' ' 97' ' ' THR . 3.5 mt-30 -66.35 -51.0 61.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 0.0 110.349 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.455 ' HA ' HD12 ' A' ' 104' ' ' LEU . 15.0 m -58.08 -33.79 47.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.7 mm -63.35 -50.13 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.04 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.933 HD21 ' HZ1' ' A' ' 96' ' ' LYS . 88.0 mt -55.8 -31.42 62.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.463 HG13 HG11 ' A' ' 88' ' ' VAL . 30.1 mt -80.7 -50.64 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.219 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.46 -38.15 80.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -97.42 23.85 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 37.6 t -81.01 -7.34 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.6 t0 81.77 -156.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.2 m -57.01 -60.66 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.448 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -90.34 159.84 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.36 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -153.6 127.17 8.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.714 ' N ' HD22 ' A' ' 112' ' ' LEU . 23.7 tt0 -110.38 140.74 44.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.429 1.081 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 12.6 mt -122.32 -176.9 3.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.27 131.34 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 85' ' ' ILE . 22.8 m -131.14 -172.45 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.53 ' HE1' ' HA ' ' A' ' 9' ' ' PRO . 2.5 mmt -139.92 87.95 12.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.85 42.7 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 mttp . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.217 179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 111.026 -0.413 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -88.46 147.77 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 m -130.41 138.85 50.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.74 129.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 95.3 m -105.3 151.07 24.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.672 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.5 mp -135.8 152.54 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.206 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.725 ' HG2' HG22 ' A' ' 111' ' ' THR . 22.1 mttt -127.26 118.0 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.047 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.642 ' CE1' HD22 ' A' ' 14' ' ' LEU . 5.1 p90 -46.99 169.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -148.89 157.12 43.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.606 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -108.83 160.0 16.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.375 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.967 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.468 HD13 HG21 ' A' ' 101' ' ' VAL . 2.4 mp . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -112.93 166.26 11.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.414 HG11 ' O ' ' A' ' 80' ' ' CYS . 53.2 t -95.31 116.42 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -54.5 7.56 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -148.79 171.2 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.09 110.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 3.1 tttp -44.03 127.44 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.38 90.53 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.98 40.0 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.34 -156.6 9.6 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -49.5 -60.81 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -38.75 -34.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -78.23 -60.42 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.22 -32.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.27 4.38 14.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.504 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.6 tp -55.21 145.49 21.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.414 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -131.1 -167.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 108.3 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 133.19 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.6 -23.75 23.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.82 160.86 13.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -133.43 141.72 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.576 HD12 HG12 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -81.75 120.23 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.763 HD12 ' HE3' ' A' ' 87' ' ' LYS . 25.7 pt -102.09 -28.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.763 ' HE3' HD12 ' A' ' 86' ' ' ILE . 11.2 mttt -135.41 158.55 44.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.7 t -143.82 105.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.452 ' ND2' ' OG ' ' A' ' 108' ' ' SER . 55.3 m-20 57.08 31.23 19.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.48 28.7 51.73 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.58 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 0.697 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m 58.59 101.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.802 ' CG1' HG12 ' A' ' 101' ' ' VAL . 24.5 m -99.21 50.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.4 mm -81.48 -61.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.05 40.51 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.643 1.214 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -123.62 161.56 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.48 HG22 ' HG3' ' A' ' 100' ' ' GLN . 1.2 t -110.51 173.87 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.66 ' CE1' HD11 ' A' ' 102' ' ' ILE . 29.0 t80 -50.02 -55.41 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -48.34 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.48 ' HG3' HG22 ' A' ' 97' ' ' THR . 0.7 OUTLIER -53.14 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.802 HG12 ' CG1' ' A' ' 93' ' ' VAL . 35.8 m -51.2 -37.52 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.66 HD11 ' CE1' ' A' ' 98' ' ' TYR . 4.8 mm -57.04 -60.31 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.79 -36.27 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 108' ' ' SER . 48.3 mt -59.15 -37.62 77.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.393 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.55 -42.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.97 -25.84 63.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ALA . 30.7 m-80 -117.09 23.51 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.207 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.732 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.6 OUTLIER -77.38 0.07 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 108' ' ' SER . 11.5 t70 82.98 178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 14.6 m -37.18 -49.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.725 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -99.45 172.48 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.732 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -158.6 108.3 2.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.6 ' N ' HD22 ' A' ' 112' ' ' LEU . 35.8 tt0 -89.39 139.36 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.672 HD12 ' CD1' ' A' ' 14' ' ' LEU . 14.5 mt -128.94 177.78 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 m -153.02 125.22 8.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 110.002 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.576 HG12 HD12 ' A' ' 85' ' ' ILE . 24.4 m -122.61 179.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.487 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -132.71 94.83 20.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.964 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 -178.97 4.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 40.7 tttt . . . . . 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 110.933 -0.449 . . . . 0.0 110.933 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 11' ' ' THR . 13.8 tptt -93.13 149.14 21.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.8 m -135.14 136.27 41.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.571 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.24 124.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.641 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 86.1 m -103.75 154.14 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.361 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 114' ' ' LEU . 4.4 mp -135.95 170.61 15.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.702 ' HG2' HG22 ' A' ' 111' ' ' THR . 25.1 mttt -138.47 117.44 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.189 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.941 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.62 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 1.4 p90 -53.61 177.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.608 ' C ' HD13 ' A' ' 25' ' ' LEU . 7.6 t -157.77 155.64 30.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.608 HD13 ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -113.28 169.75 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.978 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.532 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.1 mt . . . . . 0 N--CA 1.454 -0.244 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.8 m-85 -124.66 146.77 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.71 HG11 ' O ' ' A' ' 80' ' ' CYS . 97.8 t -71.88 133.54 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -60.92 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.19 166.3 23.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.385 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.32 115.02 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.13 148.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 4.1 tm-20 -92.46 82.21 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.57 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 104.48 28.34 5.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.064 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.26 -155.61 29.53 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' GLU . 18.8 Cg_endo -74.96 -68.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.556 1.819 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.738 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -46.56 -42.19 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.57 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 69.3 t80 -54.73 -31.66 58.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -84.07 -52.71 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.1 -30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.74 6.12 17.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.571 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -58.25 -177.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.71 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -175.46 -165.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.1 p -103.93 133.68 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.89 -11.25 41.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 65' ' ' VAL . 50.3 m-20 -81.25 137.23 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -104.25 144.92 30.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.384 1.053 . . . . 0.0 110.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.598 HD13 HG12 ' A' ' 116' ' ' VAL . 27.1 mm -84.94 134.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.674 HD13 ' HG2' ' A' ' 117' ' ' MET . 36.2 pt -116.55 -38.63 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.611 ' HE3' HD12 ' A' ' 86' ' ' ILE . 3.0 mttt -133.92 161.27 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.752 HG22 HD23 ' A' ' 114' ' ' LEU . 41.6 t -153.4 124.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.16 36.2 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.29 12.99 52.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.734 ' OE1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -94.59 124.51 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.83 108.91 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.945 HG11 HG12 ' A' ' 101' ' ' VAL . 27.5 m -112.15 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 94' ' ' ILE . 5.2 mp -64.04 -32.41 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.82 27.04 6.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' A' ' 93' ' ' VAL . 54.3 mttp -104.77 177.19 4.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 0.737 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.555 HG22 ' HG3' ' A' ' 100' ' ' GLN . 13.0 t -112.18 -172.34 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -72.42 -57.37 4.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.6 t -51.65 -22.22 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 1.183 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.555 ' HG3' HG22 ' A' ' 97' ' ' THR . 62.7 mt-30 -77.55 -70.73 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.945 HG12 HG11 ' A' ' 93' ' ' VAL . 24.2 m -49.23 -27.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.43 -52.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.47 -33.83 64.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.734 HD22 ' OE1' ' A' ' 91' ' ' GLU . 55.2 mt -63.62 -41.69 98.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.0 mt -71.81 -23.71 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -91.33 -19.17 23.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.8 m-20 -105.77 20.16 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 111' ' ' THR . 0.7 OUTLIER -73.05 -5.74 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 110' ' ' THR . 14.1 t0 62.46 -100.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 17.0 m -92.97 -63.77 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.702 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -98.83 176.08 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -149.91 106.24 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.046 . . . . 0.0 109.318 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.459 ' N ' HD22 ' A' ' 112' ' ' LEU . 22.9 tt0 -82.39 140.71 33.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.78 HD12 HD11 ' A' ' 14' ' ' LEU . 69.8 mt -130.53 -178.92 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m -164.13 131.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.598 HG12 HD13 ' A' ' 85' ' ' ILE . 23.3 m -129.61 -170.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.428 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.674 ' HG2' HD13 ' A' ' 86' ' ' ILE . 2.1 mmt -136.79 95.47 12.35 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 158.91 41.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.382 1.727 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.868 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -88.35 147.2 24.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -133.86 138.25 45.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.461 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -140.04 134.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 7.3 m -108.49 149.86 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.525 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.2 mp -137.75 143.44 41.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -117.9 115.38 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.915 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.016 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.737 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.0 p90 -49.22 174.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.675 HG23 ' HB3' ' A' ' 66' ' ' LYS . 2.7 t -157.91 164.92 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.482 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.2 mm? -110.35 177.27 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 110.263 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 101' ' ' VAL . 1.1 mp . . . . . 0 N--CA 1.452 -0.337 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 3.0 m-85 58.98 123.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 80' ' ' CYS . 54.8 t -63.66 139.32 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.675 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -86.78 -63.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -146.93 170.7 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.7 t -131.54 123.73 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -70.35 113.15 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 93.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.69 32.71 2.83 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -116.42 -158.44 11.38 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.97 -47.66 4.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.2 mm-40 -66.07 -54.87 20.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.98 -30.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.347 1.029 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 105.95 18.65 11.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.667 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.5 tp -67.4 166.49 14.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.429 ' O ' HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -145.96 -170.5 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 108.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 135.61 45.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.398 1.061 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.09 4.26 64.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.73 137.05 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -94.84 132.48 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.506 HD13 HG12 ' A' ' 116' ' ' VAL . 33.2 mm -82.97 122.89 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.822 ' O ' HG22 ' A' ' 93' ' ' VAL . 26.8 pt -109.51 -47.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.625 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.7 mttt -132.44 167.05 20.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.583 HG12 ' N ' ' A' ' 89' ' ' ASN . 46.9 t -114.25 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' HG12 ' A' ' 88' ' ' VAL . 3.2 p30 -104.61 58.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.391 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.95 38.2 49.0 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.405 1.065 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.414 ' HG3' HD22 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -115.42 -35.02 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.12 128.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 86' ' ' ILE . 1.3 m -100.52 30.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.85 94.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.8 -29.58 12.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -61.51 150.02 37.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 3.0 t -108.06 177.47 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.767 ' CE1' HD11 ' A' ' 102' ' ' ILE . 46.2 t80 -46.79 -65.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -48.41 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.942 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -57.27 -71.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 63' ' ' ILE . 34.4 m -46.56 -44.48 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 98' ' ' TYR . 11.1 mm -44.53 -51.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.58 92.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 91' ' ' GLU . 90.6 mt -53.53 -24.63 13.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.4 mt -86.73 -48.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -59.92 -33.31 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.98 12.87 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 94.5 p -59.35 -22.61 61.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.0 t70 81.41 -151.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 m -55.22 -49.69 71.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.473 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.06 173.99 6.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.8 OUTLIER -159.22 112.52 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.565 ' N ' HD22 ' A' ' 112' ' ' LEU . 54.9 tt0 -97.8 150.61 21.07 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.737 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 13.5 mt -138.22 174.72 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.7 131.84 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 1.038 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.506 HG12 HD13 ' A' ' 85' ' ' ILE . 15.7 m -129.42 -170.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.637 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -135.8 96.53 13.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.78 13.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.577 1.83 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.452 -0.94 0 N-CA-C 111.025 -0.413 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.67 142.03 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -128.6 138.15 52.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.18 128.73 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -98.95 152.56 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.712 ' CD1' HD12 ' A' ' 114' ' ' LEU . 4.9 mp -140.2 121.13 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.755 ' HG3' HG22 ' A' ' 111' ' ' THR . 4.7 mptt -100.13 115.5 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.334 -179.984 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.969 -0.853 . . . . 0.0 110.969 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.14 176.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.645 ' O ' HD13 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -158.18 168.36 27.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -119.51 166.15 13.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.527 HG22 HG12 ' A' ' 85' ' ' ILE . 2.6 mp . . . . . 0 N--CA 1.452 -0.364 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.5 m-30 -101.19 137.41 39.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.859 HG21 ' OD2' ' A' ' 83' ' ' ASP . 5.4 t -56.35 147.74 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -113.67 -35.53 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 12.0 mt-30 -163.53 164.98 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.62 1.2 . . . . 0.0 110.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.88 123.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -64.62 121.62 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.38 94.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.37 25.9 4.49 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.485 1.116 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.25 -166.41 22.96 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.426 1.751 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.685 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.15 -46.37 53.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.79 -45.88 70.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -72.54 -49.41 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.232 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.29 -25.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.42 6.85 26.93 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.536 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.5 tp -68.06 147.76 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.427 ' O ' HG11 ' A' ' 65' ' ' VAL . 18.6 p -142.91 -159.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 108.262 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.4 p -103.72 130.38 51.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.03 -30.08 7.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.859 ' OD2' HG21 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -59.38 128.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 0.79 . . . . 0.0 109.347 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 ptt-85 -94.49 152.87 18.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 63' ' ' ILE . 19.1 mm -91.52 127.05 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.858 HD12 ' HE2' ' A' ' 87' ' ' LYS . 2.7 pt -114.38 -37.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.858 ' HE2' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -144.47 165.96 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.221 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 89' ' ' ASN . 23.3 t -124.26 -122.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.573 ' N ' HG12 ' A' ' 88' ' ' VAL . 73.4 m-20 -80.96 71.74 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.22 26.41 67.68 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.671 ' OE1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -104.91 -176.88 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.7 m -134.91 107.73 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.917 HG11 HG12 ' A' ' 101' ' ' VAL . 10.8 m -110.47 47.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.9 mt -64.79 -61.0 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.382 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.45 20.37 23.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HD2' HG12 ' A' ' 93' ' ' VAL . 44.5 mttm -74.68 162.7 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 100' ' ' GLN . 1.4 t -99.98 161.43 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.559 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 33.7 t80 -50.88 -52.49 41.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 t -49.39 -43.82 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.066 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.415 ' H ' HG23 ' A' ' 97' ' ' THR . 7.3 mt-30 -59.74 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.917 HG12 HG11 ' A' ' 93' ' ' VAL . 18.2 m -48.11 -42.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.38 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.559 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 8.3 mm -51.22 -52.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.87 93.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.213 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.671 HD22 ' OE1' ' A' ' 91' ' ' GLU . 56.6 mt -52.04 -24.69 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.223 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.5 mt -89.26 -49.21 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.53 -32.99 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.25 16.24 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 109.355 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 95.1 p -63.92 -22.33 66.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.2 t0 81.11 -154.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.1 m -53.65 -51.76 62.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.755 HG22 ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -102.28 159.71 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -144.22 111.59 5.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.66 ' N ' HD22 ' A' ' 112' ' ' LEU . 14.6 tt0 -95.21 148.85 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.712 HD12 ' CD1' ' A' ' 14' ' ' LEU . 23.4 mt -138.39 168.89 18.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -147.56 130.21 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.523 HG11 ' OD1' ' A' ' 83' ' ' ASP . 13.6 m -127.14 -178.4 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.623 ' SD ' HD13 ' A' ' 86' ' ' ILE . 57.5 mmm -128.64 102.87 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 158.06 42.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 109.335 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.454 -0.851 0 N-CA-C 110.93 -0.45 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.74 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -113.33 123.11 49.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 m -117.47 155.45 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.834 HG23 ' HB2' ' A' ' 114' ' ' LEU . 1.7 m -141.66 142.53 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -117.22 144.73 44.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.802 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.7 mp -127.68 142.94 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.677 ' HA ' HG22 ' A' ' 111' ' ' THR . 15.1 mmtt -105.92 114.82 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.079 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.435 ' CE1' HD22 ' A' ' 14' ' ' LEU . 8.8 p90 -179.02 164.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.656 HG23 ' HB3' ' A' ' 66' ' ' LYS . 12.4 t -154.82 161.23 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.565 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -111.18 175.51 5.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.535 HG21 HG13 ' A' ' 85' ' ' ILE . 7.8 mm . . . . . 0 N--CA 1.454 -0.236 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.563 ' CE1' ' HB2' ' A' ' 84' ' ' ARG . 21.2 m-85 54.69 107.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 80' ' ' CYS . 87.2 t -51.87 156.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.656 ' HB3' HG23 ' A' ' 24' ' ' THR . 4.0 tptm -112.94 -56.43 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.533 ' CG ' HG22 ' A' ' 24' ' ' THR . 1.0 OUTLIER -136.28 170.08 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 67' ' ' GLN . 8.3 t -153.83 117.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -56.35 123.37 14.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.421 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -71.2 83.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 122.87 4.44 8.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -81.32 -163.05 30.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -53.24 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.802 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -53.13 -53.89 43.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 3.0 t80 -48.13 -53.58 16.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 4.2 mm-40 -59.5 -52.98 63.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.445 ' HB1' ' HB ' ' A' ' 12' ' ' VAL . . . -42.1 -28.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.13 22.85 6.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.756 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.1 tp -82.58 -170.67 3.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 0.747 . . . . 0.0 109.374 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.73 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER 178.15 -165.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 108.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.427 ' CG2' ' HA ' ' A' ' 67' ' ' GLN . 4.7 p -103.16 130.68 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.19 -32.15 7.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.478 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -52.04 131.21 31.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.563 ' HB2' ' CE1' ' A' ' 64' ' ' PHE . 3.8 ttt180 -93.77 133.91 36.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.226 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.594 HD13 HG12 ' A' ' 116' ' ' VAL . 18.8 mm -82.62 137.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.669 HD12 ' HE3' ' A' ' 87' ' ' LYS . 50.4 pt -114.02 -34.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.669 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.35 162.96 31.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.8 118.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 45.2 m-20 46.33 55.91 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.41 21.94 6.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.16 82.27 1.98 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 p -40.17 131.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.618 HG12 HG11 ' A' ' 101' ' ' VAL . 2.8 m -64.42 -31.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 mp -46.3 111.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.59 14.72 26.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -122.01 163.93 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 97' ' ' THR . 7.0 t -113.45 51.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.613 ' O ' HG22 ' A' ' 101' ' ' VAL . 35.7 t80 58.01 -75.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -37.94 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.019 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -64.68 -63.14 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.618 HG11 HG12 ' A' ' 93' ' ' VAL . 35.3 m -55.69 -31.84 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.9 mm -54.53 -46.19 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -60.6 -39.21 87.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.43 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 80.4 mt -59.14 -36.55 75.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 112' ' ' LEU . 7.7 mt -73.04 -36.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.38 -31.47 60.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 103' ' ' ALA . 37.2 m-20 -93.43 21.25 6.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 77.9 p -52.31 -20.22 2.58 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.373 1.046 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.442 ' CG ' ' N ' ' A' ' 110' ' ' THR . 3.7 t70 60.34 -91.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 55.0 m -91.57 -61.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.677 HG22 ' HA ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -126.24 168.03 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.629 HD13 ' HG ' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -126.79 107.82 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -83.08 130.79 35.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.834 ' HB2' HG23 ' A' ' 12' ' ' VAL . 38.8 mt -127.19 169.45 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -155.07 129.98 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.74 HG22 ' HG2' ' A' ' 10' ' ' LYS . 7.9 m -124.04 -168.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.49 ' HG2' HD13 ' A' ' 86' ' ' ILE . 3.6 mmt -148.35 89.16 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.04 159.35 41.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo . . . . . 0 N--CA 1.454 -0.802 0 N-CA-C 110.945 -0.444 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' CD ' ' HG3' ' A' ' 118' ' ' PRO . 1.7 tttt -94.82 123.56 38.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -111.31 148.24 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.699 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -135.03 134.91 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -107.11 135.76 48.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.2 mp -120.75 135.59 55.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.1 120.46 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.621 1.201 . . . . 0.0 110.257 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.474 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.5 p90 -179.19 160.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.656 HG22 ' CG ' ' A' ' 67' ' ' GLN . 2.8 t -140.01 161.09 38.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 24' ' ' THR . 1.1 mm? -110.03 177.65 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 101' ' ' VAL . 2.3 mp . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.543 ' CG ' ' O ' ' A' ' 63' ' ' ILE . 39.7 m-85 -162.54 145.79 11.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.614 HG11 ' O ' ' A' ' 80' ' ' CYS . 86.8 t -73.99 141.73 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HB3' ' CG2' ' A' ' 24' ' ' THR . 0.0 OUTLIER -108.77 -30.71 8.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.365 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.698 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.7 pt20 -155.28 179.95 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 67' ' ' GLN . 25.9 t -160.53 127.17 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.468 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 13.0 tptt -69.73 113.51 7.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 98.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.58 25.21 4.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.386 1.054 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.58 -160.39 16.08 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 22' ' ' GLY . 18.0 Cg_endo -75.12 -65.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -42.57 -44.77 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.05 -55.4 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.5 -46.51 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.378 1.049 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -48.32 -24.33 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.6 1.188 . . . . 0.0 109.229 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.14 10.35 30.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.699 ' CD1' HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -75.75 170.25 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 0.77 . . . . 0.0 109.187 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.614 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -164.7 -158.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 m -104.05 152.25 22.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.296 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.66 -22.04 15.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.77 136.28 57.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 15.4 ptt180 -95.28 149.19 21.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.525 HD13 HG12 ' A' ' 116' ' ' VAL . 36.3 mm -94.57 127.07 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.987 HD12 ' HE3' ' A' ' 87' ' ' LYS . 4.4 pt -110.9 -38.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.987 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -146.25 164.02 33.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 89' ' ' ASN . 46.4 t -109.99 -115.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.572 ' N ' HG12 ' A' ' 88' ' ' VAL . 5.1 p30 -105.19 53.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.78 34.98 10.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HB3' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -135.22 107.18 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.0 m -58.74 119.09 6.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 93' ' ' VAL . 12.4 m -83.54 52.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.3 mm -102.63 119.84 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.53 54.81 4.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.531 ' CD ' HG13 ' A' ' 101' ' ' VAL . 40.7 mttp -129.33 166.23 19.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 97' ' ' THR . 4.9 t -134.0 49.85 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.459 ' HA ' ' CG2' ' A' ' 101' ' ' VAL . 5.2 t80 67.56 -61.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.2 OUTLIER -47.76 -30.74 4.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -64.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.66 HG21 HD11 ' A' ' 63' ' ' ILE . 7.6 m -53.04 -40.42 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 mm -46.78 -49.56 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.55 -43.66 76.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 91' ' ' GLU . 29.6 mt -53.51 -36.47 61.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.403 HG12 HD11 ' A' ' 112' ' ' LEU . 7.8 mt -74.26 -33.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.85 -16.89 52.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.204 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.5 m-80 -79.16 -14.56 59.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 0.1 OUTLIER -49.04 -58.02 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 40.1 t0 70.77 -69.8 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.2 m -94.21 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 108' ' ' SER . 0.6 OUTLIER -126.09 148.69 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.38 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 108' ' ' SER . 0.8 OUTLIER -123.0 117.42 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.359 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 89' ' ' ASN . 26.5 tt0 -99.28 143.68 29.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.543 ' HB2' HG23 ' A' ' 12' ' ' VAL . 10.2 mt -137.88 165.6 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 15.0 m -142.27 125.96 16.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.525 HG12 HD13 ' A' ' 85' ' ' ILE . 19.5 m -121.59 -167.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.553 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 5.3 mmt -147.51 89.86 5.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.445 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -74.96 150.55 38.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.219 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.911 0 N-CA-C 110.982 -0.43 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.676 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.8 OUTLIER -103.43 119.25 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.4 m -96.53 134.4 39.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.21 . . . . 0.0 110.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.12 124.62 60.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.0 m -97.12 148.9 22.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.523 HD13 HD13 ' A' ' 112' ' ' LEU . 5.8 mp -134.36 156.07 49.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.782 ' HG2' HG22 ' A' ' 111' ' ' THR . 4.1 mttm -121.45 120.97 36.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.994 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.5 p90 -59.88 169.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 25' ' ' LEU . 8.7 t -158.1 170.2 22.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.665 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -121.29 158.72 27.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.07 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.555 HG22 HG12 ' A' ' 85' ' ' ILE . 2.1 mp . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 109.274 -0.639 . . . . 0.0 109.274 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.6 m-85 -136.56 123.79 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.732 HG11 ' O ' ' A' ' 80' ' ' CYS . 87.5 t -49.78 142.93 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -107.81 -48.47 3.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 161.44 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 80' ' ' CYS . 9.8 t -134.78 115.0 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 1.3 tmtt? -49.96 106.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 86.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.511 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 117.07 12.39 8.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.46 1.1 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.24 -156.91 32.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.373 1.722 . . . . 0.0 110.978 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -43.65 -51.47 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 4.3 t80 -47.48 -49.02 26.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 75' ' ' PHE . 2.9 mm-40 -70.87 -51.37 26.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.12 -27.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 113.54 11.69 12.76 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.0 tp -73.92 159.07 33.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 0.717 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.732 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -156.15 -160.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 108.382 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.7 p -103.51 137.95 40.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.23 -20.5 42.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.696 ' O ' HG23 ' A' ' 65' ' ' VAL . 43.8 m-20 -72.69 125.6 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 1.8 ptt180 -94.01 150.34 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.555 HG12 HG22 ' A' ' 63' ' ' ILE . 24.1 mm -88.35 134.06 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.677 HD12 ' HE3' ' A' ' 87' ' ' LYS . 41.5 pt -116.84 -38.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.677 ' HE3' HD12 ' A' ' 86' ' ' ILE . 10.0 mttt -132.99 160.11 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 51.2 t -146.28 110.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 61.74 17.14 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.7 -9.68 57.11 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.11 121.89 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 110.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 p -74.36 112.17 10.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 m -51.64 -22.91 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 94' ' ' ILE . 26.7 mm -48.55 116.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.1 -39.65 2.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -67.64 162.24 24.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.9 160.93 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.453 ' CE1' HD11 ' A' ' 102' ' ' ILE . 29.5 t80 -38.18 -62.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -55.23 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.943 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -51.28 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.629 1.206 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 98' ' ' TYR . 30.9 m -47.38 -38.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.453 HD11 ' CE1' ' A' ' 98' ' ' TYR . 11.6 mm -59.99 -54.43 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.73 69.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.1 mt -51.42 -33.19 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.69 -46.54 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.92 -33.94 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.242 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -105.79 21.23 17.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 83.1 p -56.71 -20.4 21.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.8 t0 81.78 -152.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -47.24 -60.2 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.782 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -107.54 -175.72 2.87 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.625 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -152.13 111.12 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.625 ' N ' HD22 ' A' ' 112' ' ' LEU . 19.6 tt0 -94.13 135.64 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' A' ' 14' ' ' LEU . 29.0 mt -127.02 -173.68 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -166.08 131.59 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.676 HG22 ' HG2' ' A' ' 10' ' ' LYS . 11.2 m -127.4 -164.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 3.2 mmt -141.57 87.92 10.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.5 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 17.9 Cg_endo -75.06 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.798 0 N-CA-C 110.987 -0.428 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HE2' ' CG2' ' A' ' 116' ' ' VAL . 7.3 tttt -90.56 152.16 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 m -135.37 131.18 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.605 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.37 125.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.7 m -101.1 153.14 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.556 HD11 HD12 ' A' ' 114' ' ' LEU . 4.4 mp -135.72 156.86 48.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -131.71 115.65 16.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.351 1.032 . . . . 0.0 110.324 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' PHE . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.714 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.2 p90 -45.92 173.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.453 ' O ' HD13 ' A' ' 25' ' ' LEU . 1.5 t -153.87 170.9 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.521 ' N ' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -116.53 162.47 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.8 mp . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -111.39 132.97 54.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 ' O ' ' A' ' 80' ' ' CYS . 80.7 t -51.87 156.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.9 OUTLIER -122.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.11 162.78 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 23.9 t -134.58 108.63 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -40.15 121.95 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.67 76.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.446 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 116.38 32.22 1.68 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -107.3 -154.78 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.43 ' O ' ' N ' ' A' ' 76' ' ' GLU . 18.4 Cg_endo -75.02 -68.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.586 1.835 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -44.25 -38.51 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.446 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 25.0 t80 -60.45 -40.35 90.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 2.3 mm-40 -69.13 -49.09 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.72 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.38 15.42 38.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.339 1.025 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.605 ' CD1' HG21 ' A' ' 12' ' ' VAL . 3.3 tp -64.52 154.59 35.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.635 ' O ' HG11 ' A' ' 65' ' ' VAL . 16.6 p -141.91 -164.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 157.48 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.54 -31.15 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.6 ' O ' HG23 ' A' ' 65' ' ' VAL . 25.8 m-20 -59.04 128.87 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 19.8 ptt180 -94.62 148.81 21.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.506 HD13 HG12 ' A' ' 116' ' ' VAL . 36.0 mm -82.41 129.81 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.819 HG21 ' HG3' ' A' ' 117' ' ' MET . 34.6 pt -111.86 -34.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.696 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.27 163.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 87' ' ' LYS . 56.0 t -157.64 104.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.46 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 0.9 OUTLIER 58.96 39.96 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.3 21.7 9.03 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.554 1.158 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -15.4 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 0.731 . . . . 0.0 110.233 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t 61.33 105.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 93' ' ' VAL . 13.8 m -89.77 48.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.1 mm -95.01 102.93 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.37 -45.83 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.587 1.179 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -42.65 151.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 11.4 t -85.47 -154.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.445 ' CE1' HD11 ' A' ' 102' ' ' ILE . 22.6 t80 -83.59 -51.97 6.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -44.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.06 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -52.1 -66.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 63' ' ' ILE . 34.8 m -52.89 -38.05 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.445 HD11 ' CE1' ' A' ' 98' ' ' TYR . 3.7 mm -58.42 -46.83 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.403 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -62.25 -32.71 73.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.419 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 10.5 mt -64.95 -29.34 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.612 HG23 ' HG ' ' A' ' 112' ' ' LEU . 13.0 mt -84.3 -36.57 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -78.9 -24.1 44.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.524 ' C ' ' OD1' ' A' ' 107' ' ' ASN . 41.3 p30 -99.65 -0.37 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.689 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.5 OUTLIER -71.42 -6.33 39.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.9 t70 76.84 -156.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.5 m -53.9 -60.73 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 155.49 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.412 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.689 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.7 OUTLIER -152.2 120.33 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.574 ' N ' HD22 ' A' ' 112' ' ' LEU . 39.8 tt0 -98.25 148.23 23.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.714 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 24.5 mt -131.53 -179.48 5.39 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -163.06 125.26 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.648 HG23 ' HD3' ' A' ' 118' ' ' PRO . 10.3 m -125.26 -174.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.819 ' HG3' HG21 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -144.9 82.29 10.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.638 1.211 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.648 ' HD3' HG23 ' A' ' 116' ' ' VAL . 18.4 Cg_endo -74.95 -178.19 3.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.593 1.839 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 N--CA 1.453 -0.877 0 N-CA-C 111.09 -0.388 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.55 ' CD ' ' CG2' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -105.61 128.21 53.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.5 m -116.95 130.78 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.584 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -138.46 143.84 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 3.7 m -111.43 155.42 23.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.632 HD11 HD12 ' A' ' 114' ' ' LEU . 5.5 mp -139.6 130.5 26.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.498 ' HG3' ' CG2' ' A' ' 111' ' ' THR . 0.0 OUTLIER -97.73 113.68 25.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 110' ' ' THR . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.466 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.686 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 3.3 p90 -45.88 170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.73 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.559 HG22 ' HG3' ' A' ' 67' ' ' GLN . 14.0 t -145.48 162.31 37.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.539 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -109.35 172.84 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 110.254 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.655 HG22 HG12 ' A' ' 85' ' ' ILE . 2.7 mp . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.0 m-85 -121.79 130.48 53.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.629 1.205 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 83' ' ' ASP . 80.4 t -51.76 147.45 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HB3' HG23 ' A' ' 24' ' ' THR . 6.6 tttp -117.5 -49.15 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.067 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.559 ' HG3' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -142.14 167.26 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.46 114.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 1.5 tptp -57.88 115.98 3.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 92.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.44 19.08 7.23 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.401 1.063 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.72 -159.78 27.75 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.33 -47.36 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.86 -46.27 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.5 mm-40 -73.23 -50.19 23.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.186 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -45.48 -26.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 103.02 21.05 10.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.584 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -79.17 162.96 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 0.811 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.633 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -150.53 -160.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.33 160.89 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.6 62.54 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.0 m-20 -86.69 121.76 29.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 0.812 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 19.8 ptt180 -94.0 150.11 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.238 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.655 HG12 HG22 ' A' ' 63' ' ' ILE . 13.3 mm -90.89 141.01 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.218 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.861 ' O ' HG22 ' A' ' 93' ' ' VAL . 6.7 pt -121.53 -41.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.608 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.7 mttt -125.49 161.53 26.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' GLU . 38.7 t -150.73 118.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 48.39 27.74 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.41 33.13 85.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.429 1.081 . . . . 0.0 111.077 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -108.12 -7.18 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 0.0 110.251 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m 62.46 144.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.053 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 86' ' ' ILE . 10.5 m -100.43 -25.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.8 mp -51.72 122.48 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.07 -23.18 36.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.69 ' HE2' HD11 ' A' ' 104' ' ' LEU . 36.0 mttp -81.3 156.83 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 97' ' ' THR . 13.3 t -114.8 62.38 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.543 ' O ' HG22 ' A' ' 101' ' ' VAL . 24.0 t80 55.53 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.393 1.058 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -35.61 -34.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 11.6 mt-30 -63.81 -57.39 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 98' ' ' TYR . 13.9 m -63.21 -31.32 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.438 HD11 ' CE1' ' A' ' 98' ' ' TYR . 14.0 mm -54.83 -49.91 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -56.17 -44.89 79.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.69 HD11 ' HE2' ' A' ' 96' ' ' LYS . 47.6 mt -52.13 -42.9 63.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.7 mt -67.22 -45.33 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.221 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.02 -30.19 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 103' ' ' ALA . 34.5 m-80 -113.65 28.19 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.801 ' OG ' HD23 ' A' ' 112' ' ' LEU . 1.9 m -77.01 -0.1 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.05 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 108' ' ' SER . 5.6 t70 84.15 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 88.1 m -41.05 -36.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.609 1.193 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.498 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -116.3 177.49 4.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.372 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.801 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -156.49 111.94 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.687 ' N ' HD22 ' A' ' 112' ' ' LEU . 25.7 tt0 -90.28 128.53 36.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.686 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 28.6 mt -108.28 172.09 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -149.88 117.42 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.601 HG23 ' CD ' ' A' ' 118' ' ' PRO . 34.0 m -130.8 174.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.671 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -141.58 49.25 1.4 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.671 ' HD3' ' N ' ' A' ' 117' ' ' MET . 18.5 Cg_endo -74.91 160.19 40.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.855 0 N-CA-C 111.025 -0.414 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.719 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -126.82 119.22 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 m -96.87 129.74 44.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.657 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -127.64 141.87 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 39.8 m -110.01 147.48 33.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.603 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.8 mp -133.81 160.47 37.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.755 ' HG2' HG22 ' A' ' 111' ' ' THR . 14.7 mttt -129.04 120.83 26.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 15' ' ' LYS . 5.3 ttt180 . . . . . 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.413 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.529 0.964 0 N-CA-C 111.069 -0.812 . . . . 0.0 111.069 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.679 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.2 p90 -51.09 172.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.546 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -158.03 160.49 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -110.35 176.24 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.536 HG22 HG12 ' A' ' 85' ' ' ILE . 2.5 mp . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 84' ' ' ARG . 31.7 m-85 -135.42 139.34 44.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.645 HG11 ' O ' ' A' ' 80' ' ' CYS . 40.1 t -66.07 138.88 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HD2' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -93.42 -54.65 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -151.68 172.38 16.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.473 HG21 ' HA ' ' A' ' 80' ' ' CYS . 76.6 t -131.83 127.68 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 30.0 tptt -69.55 113.92 7.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.68 91.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.24 28.03 3.72 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.574 1.171 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.62 -160.72 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -62.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -44.93 -51.7 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -48.12 -46.75 34.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -71.61 -51.97 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -44.19 -27.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' NZ ' ' A' ' 10' ' ' LYS . . . 105.06 23.95 7.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.657 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -82.96 165.64 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.645 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -156.12 -160.8 1.04 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 0.0 108.375 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 156.42 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.61 -22.97 14.19 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -70.23 131.59 44.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 64' ' ' PHE . 3.2 mtm180 -100.06 149.35 23.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.536 HG12 HG22 ' A' ' 63' ' ' ILE . 15.0 mm -84.3 137.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.68 ' O ' HG22 ' A' ' 93' ' ' VAL . 20.4 pt -120.88 -40.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.569 ' O ' HG23 ' A' ' 88' ' ' VAL . 4.0 mttt -129.7 158.93 38.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 87' ' ' LYS . 54.1 t -157.58 137.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 m120 45.11 40.84 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.391 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.76 34.02 50.09 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -116.28 160.08 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.225 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -95.72 102.67 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 86' ' ' ILE . 12.2 m -92.16 37.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.86 87.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.09 -38.09 2.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -44.59 153.48 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 100' ' ' GLN . 5.2 t -95.36 149.77 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.988 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 68.7 t80 -39.26 -46.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -52.1 -44.29 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 97' ' ' THR . 47.8 mt-30 -61.71 -68.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.531 HG12 ' CG1' ' A' ' 93' ' ' VAL . 11.2 m -46.9 -39.67 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.988 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 2.0 mm -50.39 -48.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.17 87.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 mt -47.7 -38.02 14.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 47.7 mt -74.69 -49.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -58.07 -23.58 55.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -110.24 16.77 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 77.2 p -61.97 -15.79 46.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 75.23 -157.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -46.36 -61.28 1.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.755 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -95.41 176.0 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.628 1.205 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -155.0 109.6 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.635 ' N ' HD22 ' A' ' 112' ' ' LEU . 30.6 tt0 -92.79 138.82 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.679 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 18.3 mt -126.88 177.26 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -160.12 132.82 6.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.719 HG22 ' HG2' ' A' ' 10' ' ' LYS . 10.9 m -134.16 -175.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.65 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -125.99 86.18 58.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.595 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.16 164.26 33.41 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.378 1.725 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.304 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.88 0 N-CA-C 110.954 -0.441 . . . . 0.0 110.954 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 116' ' ' VAL . 4.9 tttt -93.87 128.2 40.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -117.7 146.66 43.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -141.9 129.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.35 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -98.98 148.35 24.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' CE1' ' A' ' 23' ' ' PHE . 5.4 mp -134.42 156.92 47.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.64 ' HG2' HG22 ' A' ' 111' ' ' THR . 6.1 mttp -126.94 123.23 36.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . . . . . . 0 CA--C 1.531 1.051 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.683 ' CE1' HD22 ' A' ' 14' ' ' LEU . 18.0 p90 -48.06 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.79 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.552 HG22 ' CG ' ' A' ' 67' ' ' GLN . 12.7 t -141.1 162.34 35.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.609 1.193 . . . . 0.0 110.385 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.448 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.3 mm? -108.39 176.54 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mp . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -140.92 141.33 34.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 80' ' ' CYS . 71.7 t -67.39 149.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -119.1 -44.7 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.552 ' CG ' HG22 ' A' ' 24' ' ' THR . 1.1 pp0? -140.09 163.52 32.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' GLU . 12.7 t -137.39 107.93 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 3.6 tmtt? -42.39 98.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' VAL . 6.8 tt0 -59.27 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.553 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.59 24.3 5.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.22 -150.14 13.59 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -68.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -43.29 -45.12 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.553 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 16.0 t80 -52.13 -50.87 60.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.53 -49.82 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.54 -23.02 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.74 21.82 20.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.654 ' CD1' HG21 ' A' ' 12' ' ' VAL . 3.1 tp -70.04 163.02 27.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.625 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -148.5 -164.82 2.11 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 m -104.29 156.9 17.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.96 -19.77 28.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -64.89 153.15 41.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.781 . . . . 0.0 109.307 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.34 135.87 53.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 116' ' ' VAL . 1.4 mp -82.5 118.42 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.739 HD12 ' HE3' ' A' ' 87' ' ' LYS . 34.5 pt -99.36 -29.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.739 ' HE3' HD12 ' A' ' 86' ' ' ILE . 19.7 mttt -130.17 165.46 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.599 HG12 ' CG ' ' A' ' 89' ' ' ASN . 77.2 t -155.52 117.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.197 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.599 ' CG ' HG12 ' A' ' 88' ' ' VAL . 0.2 OUTLIER 39.09 57.38 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 39.96 36.4 0.82 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' VAL . 3.4 tm-20 -108.5 -26.53 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.27 128.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 93' ' ' VAL . 8.7 m -109.53 54.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.08 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.65 -36.26 4.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -44.34 136.96 3.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 0.756 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -88.63 158.4 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.621 ' CE1' HD11 ' A' ' 102' ' ' ILE . 14.8 t80 -40.7 -54.34 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -53.06 -44.0 67.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.939 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -61.49 -65.58 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.456 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 18.4 m -48.02 -46.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.366 1.041 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.621 HD11 ' CE1' ' A' ' 98' ' ' TYR . 2.4 mm -42.67 -46.09 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.1 -38.21 50.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 46.7 mt -73.84 -46.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -61.52 -27.32 68.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -101.72 8.63 41.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 90.6 p -60.23 -14.68 18.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.1 t70 79.72 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 m -51.95 -59.96 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -92.95 165.48 12.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -148.88 109.97 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 0.0 109.38 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.627 ' N ' HD22 ' A' ' 112' ' ' LEU . 28.9 tt0 -95.12 139.94 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' A' ' 14' ' ' LEU . 11.7 mt -128.77 176.46 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 m -153.5 123.8 7.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 85' ' ' ILE . 17.6 m -124.52 176.68 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.413 ' HG2' ' C ' ' A' ' 116' ' ' VAL . 1.5 mmt -133.24 90.07 31.26 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.467 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 169.48 22.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.747 . . . . 0.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.5 tptt . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.454 -0.839 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.646 ' HD3' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -120.62 132.42 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -103.82 146.73 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.77 128.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.182 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 36.1 m -107.96 159.16 16.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.454 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.0 mp -141.1 149.24 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' HG22 ' A' ' 111' ' ' THR . 1.1 mmmm -131.92 113.68 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.955 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.427 ' CA ' ' HD2' ' A' ' 73' ' ' PRO . . . . . . . . 0 CA--C 1.531 1.078 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.821 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 5.3 p90 -145.48 172.77 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.573 HG23 ' HB3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -156.64 157.6 35.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.51 179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.491 HG21 HG12 ' A' ' 85' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.463 ' N ' HG22 ' A' ' 63' ' ' ILE . 15.5 m-85 55.52 112.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 83' ' ' ASP . 29.1 t -54.74 132.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -75.49 -62.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.608 1.192 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -151.14 178.5 9.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.74 131.14 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -76.39 136.34 39.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 94.88 7.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.4 37.51 0.92 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.56 -168.93 13.11 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.87 -58.81 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -40.88 -50.4 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.4 mm-40 -62.84 -54.82 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -40.5 -32.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.43 9.54 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.537 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.4 tp -66.74 160.75 25.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.55 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -157.81 -162.05 1.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.29 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.0 p -102.75 130.86 49.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.17 -27.63 11.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 65' ' ' VAL . 20.1 m-20 -67.15 122.8 18.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.448 ' O ' HG12 ' A' ' 116' ' ' VAL . 8.1 ptp180 -94.32 151.24 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 116' ' ' VAL . 17.4 mm -88.02 138.0 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.712 ' O ' HG22 ' A' ' 93' ' ' VAL . 10.3 pt -117.39 -35.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HE3' ' CG1' ' A' ' 86' ' ' ILE . 1.4 mttt -134.37 163.9 28.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' GLU . 77.3 t -148.21 124.9 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 45.18 27.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.24 97.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -102.19 -6.01 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 110.351 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t 58.27 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 86' ' ' ILE . 11.4 m -99.27 26.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mm -62.82 -33.18 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.99 36.6 3.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -122.95 155.39 36.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.721 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.56 168.04 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.596 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 55.4 t80 -49.62 -61.42 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -34.91 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -69.68 -72.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.661 HG12 ' CG1' ' A' ' 93' ' ' VAL . 33.6 m -47.18 -38.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.225 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.596 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 8.3 mm -47.52 -54.88 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -58.51 -44.24 89.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.3 mt -52.98 -37.31 61.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 mt -74.69 -46.72 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -64.44 -24.48 67.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.7 m-80 -113.97 25.53 11.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.613 ' OG ' HD23 ' A' ' 112' ' ' LEU . 3.3 m -78.23 -12.53 60.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.925 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 110' ' ' THR . 10.8 t70 75.37 -175.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 26.3 m -37.66 -61.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.481 HG22 ' CD ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -86.52 162.87 17.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.613 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -159.93 109.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.568 ' N ' HD22 ' A' ' 112' ' ' LEU . 31.1 tt0 -90.18 131.07 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.821 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 34.5 mt -114.23 166.17 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 1.1 m -143.95 127.4 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.977 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.68 HG23 ' HD3' ' A' ' 118' ' ' PRO . 35.4 m -135.09 -167.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.204 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.595 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -163.98 54.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.68 ' HD3' HG23 ' A' ' 116' ' ' VAL . 17.8 Cg_endo -75.09 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 10.4 tttt . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.333 179.897 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.974 -0.433 . . . . 0.0 110.974 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HG2' HG23 ' A' ' 116' ' ' VAL . 14.0 tptt -132.35 142.46 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 95.0 m -127.97 139.79 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.342 1.026 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.65 122.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 32.9 m -96.99 158.04 15.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 114' ' ' LEU . 4.0 mp -144.38 164.04 31.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.52 ' HA ' HG22 ' A' ' 111' ' ' THR . 13.6 mttt -123.85 129.78 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 110.235 -179.975 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 68' ' ' VAL . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.584 ' HE2' HD11 ' A' ' 25' ' ' LEU . 1.2 p90 -168.22 170.39 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.693 HG22 ' HG2' ' A' ' 67' ' ' GLN . 2.5 t -144.88 162.21 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.584 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.9 mm? -109.72 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.978 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.666 HG22 HG12 ' A' ' 85' ' ' ILE . 2.7 mp . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.413 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 71.2 m-85 -84.33 124.96 31.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 83' ' ' ASP . 41.4 t -54.4 123.69 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 0.0 109.393 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.615 ' HB3' HG23 ' A' ' 24' ' ' THR . 8.9 tptt -77.29 -55.15 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.693 ' HG2' HG22 ' A' ' 24' ' ' THR . 2.5 pt20 -149.5 -179.64 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 18.9 t -145.8 110.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -46.22 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -114.92 88.29 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.85 2.47 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 -167.33 20.24 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -57.73 -44.96 86.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.22 -44.54 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.6 mm-40 -71.67 -49.4 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -43.15 -27.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.92 11.67 22.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.573 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.8 tp -64.5 -176.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 0.724 . . . . 0.0 109.378 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.832 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -178.29 -161.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 108.268 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -103.75 133.16 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.32 -27.17 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.839 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -69.68 117.82 11.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.226 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -93.71 149.29 21.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.307 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 63' ' ' ILE . 10.6 mm -87.62 145.01 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.526 HD12 ' HE3' ' A' ' 87' ' ' LYS . 8.1 pt -122.48 -42.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.526 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.1 mttt -128.45 163.09 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.7 t -143.11 125.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 48.2 24.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.56 32.42 83.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -98.54 -27.51 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m 73.5 138.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.974 HG12 HG11 ' A' ' 101' ' ' VAL . 5.1 m -90.66 41.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -73.21 101.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.431 1.082 . . . . 0.0 109.171 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.74 6.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -44.39 161.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 97' ' ' THR . 13.9 t -131.17 59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.588 ' O ' HG22 ' A' ' 101' ' ' VAL . 9.8 t80 56.68 -78.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -37.35 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.3 mt-30 -64.95 -62.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.974 HG11 HG12 ' A' ' 93' ' ' VAL . 8.5 m -53.22 -37.17 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.488 ' HA ' HD13 ' A' ' 102' ' ' ILE . 12.1 mm -48.64 -50.3 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.44 74.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.5 mt -51.54 -41.88 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.42 -47.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.58 -40.22 86.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.96 22.91 10.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.045 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.485 ' CB ' HD23 ' A' ' 112' ' ' LEU . 47.3 p -51.22 -22.32 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.96 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' SER . 10.5 t0 80.58 -151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -42.77 -61.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.45 1.093 . . . . 0.0 110.355 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -116.54 170.29 8.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.54 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -134.8 113.05 11.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.406 1.066 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.54 ' N ' HD22 ' A' ' 112' ' ' LEU . 11.9 tt0 -94.1 134.15 36.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 14' ' ' LEU . 32.1 mt -119.76 159.97 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -134.74 122.97 22.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.626 HG23 ' HD3' ' A' ' 118' ' ' PRO . 27.6 m -129.34 -166.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.57 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -165.82 55.24 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD3' HG23 ' A' ' 116' ' ' VAL . 18.1 Cg_endo -75.03 169.47 22.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.3 tptt . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.209 -179.967 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -122.13 143.32 49.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.0 m -129.89 138.06 50.73 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.648 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -141.25 136.73 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.2 m -108.21 154.64 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 74' ' ' ALA . 4.6 mp -137.56 151.59 48.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -132.6 114.09 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 . . . . . 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.724 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 38.2 p90 -177.37 -177.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 0.775 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.607 HG23 ' HB3' ' A' ' 66' ' ' LYS . 8.9 t -158.49 162.27 37.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.83 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.6 mm? -115.4 177.52 4.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.83 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.1 mp . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.437 ' CD1' ' HB3' ' A' ' 84' ' ' ARG . 25.3 m-85 57.72 117.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 83' ' ' ASP . 44.4 t -71.81 125.98 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.607 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -80.62 -57.11 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.57 ' HA ' HG22 ' A' ' 81' ' ' THR . 23.0 mt-30 -135.73 176.43 8.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 67' ' ' GLN . 4.0 t -154.48 113.46 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -39.86 136.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.37 98.25 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.47 33.17 3.7 Favored Glycine 0 CA--C 1.533 1.177 0 O-C-N 124.435 1.085 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.25 -157.91 10.5 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.18 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -40.19 -46.98 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.07 -55.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.9 mm-40 -65.27 -45.34 84.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.371 1.045 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.637 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -45.23 -26.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.247 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.91 6.58 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -68.37 -177.07 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.527 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER 179.36 -165.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 108.297 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 67' ' ' GLN . 51.9 p -103.27 134.11 47.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.99 -40.86 2.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 65' ' ' VAL . 45.6 m-20 -51.89 129.18 26.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 0.745 . . . . 0.0 109.219 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 24.3 ptt-85 -93.9 146.0 24.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.65 HD13 HG12 ' A' ' 116' ' ' VAL . 30.0 mm -83.73 132.95 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 0.823 HD12 ' HE3' ' A' ' 87' ' ' LYS . 41.1 pt -111.08 -35.58 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.823 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.9 mttt -135.99 165.44 25.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.422 HG23 ' C ' ' A' ' 87' ' ' LYS . 74.8 t -154.01 118.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.458 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 3.0 m-20 48.31 34.08 4.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.01 29.01 74.26 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.091 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.443 ' CB ' HD13 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -112.82 90.68 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 0.794 . . . . 0.0 110.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . 17.7 m -38.65 115.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 93' ' ' VAL . 12.1 m -78.43 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 109.375 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.24 126.62 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.4 13.99 82.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.584 1.178 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.739 ' HE2' HD11 ' A' ' 104' ' ' LEU . 53.5 mttp -97.43 158.96 15.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 97' ' ' THR . 12.4 t -119.25 60.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.763 ' O ' HG22 ' A' ' 101' ' ' VAL . 13.3 t80 56.15 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.9 OUTLIER -37.43 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.5 mm-40 -62.53 -55.86 23.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 98' ' ' TYR . 28.2 m -62.13 -29.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 102' ' ' ILE . 16.8 mm -58.82 -48.35 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -57.45 -31.64 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.739 HD11 ' HE2' ' A' ' 96' ' ' LYS . 26.1 mt -66.76 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.735 HG23 ' HG ' ' A' ' 112' ' ' LEU . 7.2 mt -78.65 -34.52 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -80.44 -26.67 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . 0.552 ' C ' ' OD1' ' A' ' 107' ' ' ASN . 35.9 p30 -98.45 1.45 46.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.542 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -69.42 -12.69 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.4 t70 81.18 -152.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -55.01 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.13 165.46 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.735 ' HG ' HG23 ' A' ' 105' ' ' ILE . 1.5 tm? -160.48 114.53 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.468 ' N ' HD22 ' A' ' 112' ' ' LEU . 25.7 tt0 -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.675 HD12 HD11 ' A' ' 14' ' ' LEU . 27.0 mt -125.49 174.88 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.61 123.86 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.65 HG12 HD13 ' A' ' 85' ' ' ILE . 34.2 m -117.92 -178.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.604 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -126.41 98.0 33.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.009 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.81 26.17 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.4 Cg_endo . . . . . 0 N--CA 1.454 -0.832 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.564 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -92.61 136.25 33.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -113.35 145.83 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -137.49 119.86 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 87.2 m -91.51 139.72 30.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.4 mp -124.13 164.25 19.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.838 ' HG2' HG22 ' A' ' 111' ' ' THR . 44.1 mttt -133.83 113.3 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.9 ttm-85 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.966 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.081 0 N-CA-C 110.909 -0.877 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PHE . . . . . 0.484 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.4 p90 -43.9 167.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.2 t -141.47 164.97 28.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -110.83 166.1 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 63' ' ' ILE . 1.8 mp . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 109.303 -0.628 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 34.1 m-85 -91.42 146.53 23.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 83' ' ' ASP . 88.1 t -73.64 145.43 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.743 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -99.81 -47.68 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -157.85 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.238 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.17 116.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.93 153.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . 0.425 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -96.82 74.72 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.24 32.44 2.57 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.56 -152.35 20.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -68.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.693 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -47.13 -44.6 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 76.0 t80 -51.5 -33.43 31.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -81.64 -55.42 4.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.42 -30.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.87 4.66 29.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.541 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.0 tp -51.52 -178.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' CYS . . . . . 0.559 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -168.14 -164.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 p -103.77 131.68 50.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.135 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.45 -41.22 2.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ASP . . . . . 0.767 ' O ' HG23 ' A' ' 65' ' ' VAL . 70.8 m-20 -52.64 124.35 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -97.15 148.54 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mp -82.61 131.55 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.621 1.201 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ILE . . . . . 1.003 HD12 ' HE2' ' A' ' 87' ' ' LYS . 3.9 pt -112.36 -33.03 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 1.003 ' HE2' HD12 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -142.43 150.11 40.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.759 HG22 HD23 ' A' ' 114' ' ' LEU . 93.3 t -136.32 129.3 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ASN . . . . . 0.637 ' CG ' HG12 ' A' ' 88' ' ' VAL . 0.2 OUTLIER 33.21 44.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.42 51.82 5.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -108.37 -23.5 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER 85.33 111.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 93' ' ' VAL . 4.0 m -135.51 53.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.49 -38.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.371 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -126.32 29.45 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -95.83 149.32 21.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.8 166.14 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' TYR . . . . . 0.926 ' CE1' HD11 ' A' ' 102' ' ' ILE . 19.0 t80 -54.77 -64.02 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.33 -30.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -71.04 0.31 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' VAL . . . . . 0.454 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 33.8 m -50.03 -30.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.926 HD11 ' CE1' ' A' ' 98' ' ' TYR . 4.0 mm -56.6 -47.73 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.53 84.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.35 -29.23 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.43 -44.5 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.64 -29.12 70.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -102.28 11.37 38.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 62.5 p -53.89 -20.09 5.48 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 2.9 t70 81.06 -151.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.8 m -53.58 -51.31 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' THR . . . . . 0.838 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -109.81 178.88 4.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.489 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -152.67 109.06 3.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.489 ' N ' HD22 ' A' ' 112' ' ' LEU . 35.4 tt0 -93.34 132.88 37.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LEU . . . . . 0.759 HD23 HG22 ' A' ' 88' ' ' VAL . 10.0 mt -128.82 168.6 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' SER . . . . . 0.456 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 8.7 t -143.49 127.33 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.564 HG22 ' HG2' ' A' ' 10' ' ' LYS . 3.4 m -118.34 -168.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' MET . . . . . 0.42 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 3.1 mmt -139.77 87.86 12.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' PRO . . . . . 0.481 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.4 Cg_endo -75.06 170.64 19.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 9.4 tttt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 110.976 -0.849 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 m 60.3 161.26 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.07 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.6 p -175.15 158.27 2.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.95 48.4 3.85 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.959 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.08 108.82 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 0.784 . . . . 0.0 109.963 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -100.99 82.16 2.34 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.52 1.138 . . . . 0.0 109.974 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.54 135.0 6.0 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.568 1.167 . . . . 0.0 110.979 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 117.16 156.65 10.55 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.2 Cg_endo -75.08 140.53 25.34 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.1 tptt -88.2 144.06 26.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.281 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 85.3 m -133.43 138.68 46.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.398 1.061 . . . . 0.0 110.347 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.612 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -138.37 129.8 37.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 26.3 m -103.15 141.61 35.56 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.534 1.146 . . . . 0.0 110.403 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.565 ' CD2' ' HB2' ' A' ' 74' ' ' ALA . 5.1 mp -130.71 150.13 52.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 109.241 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.41 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 12.6 mttt -110.37 133.29 53.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.576 1.172 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -55.38 112.5 1.12 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.389 1.056 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.4 t -138.39 119.99 15.08 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 110.467 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 20' ' ' GLY . 4.5 m 49.62 49.57 19.76 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.467 1.105 . . . . 0.0 110.017 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 67.01 -70.86 0.1 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.599 1.187 . . . . 0.0 110.307 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 18' ' ' SER . . . -59.85 175.06 4.01 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.427 1.08 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.631 ' CE2' ' CB ' ' A' ' 112' ' ' LEU . 33.3 m-85 -130.5 38.46 3.74 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.59 0.818 . . . . 0.0 110.954 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 80.95 -76.14 2.18 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.572 1.17 . . . . 0.0 110.983 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 2.8 p90 -66.59 -178.61 0.72 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 0.766 . . . . 0.0 111.087 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.479 HG23 ' HB3' ' A' ' 66' ' ' LYS . 4.1 t -157.73 164.91 36.63 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.443 1.089 . . . . 0.0 110.43 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -108.17 -179.75 3.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.408 ' O ' ' C ' ' A' ' 27' ' ' HIS . 0.0 OUTLIER -111.62 133.82 53.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.305 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.408 ' C ' ' O ' ' A' ' 26' ' ' ARG . 2.5 m170 -39.45 140.88 0.42 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.625 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -65.94 136.49 56.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.541 1.15 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.599 ' O ' ' CE2' ' A' ' 31' ' ' TYR . 56.7 mt -51.94 98.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.332 1.02 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.891 HG12 ' HD3' ' A' ' 32' ' ' PRO . 39.2 t -39.75 147.52 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.599 ' CE2' ' O ' ' A' ' 29' ' ' ILE . 1.1 m-85 -131.14 62.25 64.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 111.043 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.891 ' HD3' HG12 ' A' ' 30' ' ' VAL . 18.5 Cg_endo -75.01 153.73 41.92 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 111.032 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.86 140.81 26.3 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.594 1.839 . . . . 0.0 111.042 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -55.11 -63.93 1.0 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.461 1.101 . . . . 0.0 110.324 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.1 t -123.6 121.59 35.98 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.024 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.462 ' HB1' ' OE1' ' A' ' 38' ' ' GLN . . . -176.91 -108.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 7.0 mt 59.45 80.8 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.444 1.09 . . . . 0.0 109.344 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.462 ' OE1' ' HB1' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -166.37 39.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.55 1.156 . . . . 0.0 110.282 -179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -144.51 100.51 3.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.462 1.101 . . . . 0.0 110.962 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.5 m 56.89 -178.65 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 110.045 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.619 ' N ' ' CD1' ' A' ' 41' ' ' TYR . 0.2 OUTLIER -121.83 -40.83 2.5 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.503 1.127 . . . . 0.0 111.034 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.49 87.74 1.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.587 1.179 . . . . 0.0 109.273 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -172.73 161.58 4.78 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.29 173.09 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.588 1.18 . . . . 0.0 110.288 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -142.48 138.29 30.87 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.581 1.175 . . . . 0.0 110.27 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -54.25 136.77 42.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.405 1.066 . . . . 0.0 109.305 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -123.65 -67.03 0.21 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.571 1.169 . . . . 0.0 111.109 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -58.12 157.95 7.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.477 0.751 . . . . 0.0 109.342 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.14 164.82 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.392 1.058 . . . . 0.0 110.217 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.0 -79.05 0.13 Allowed Glycine 0 CA--C 1.529 0.945 0 O-C-N 124.538 1.149 . . . . 0.0 111.021 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 178.03 114.77 0.42 Allowed Glycine 0 CA--C 1.531 1.058 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -81.32 65.03 6.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.603 0.825 . . . . 0.0 109.364 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -123.94 -59.88 1.48 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.256 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.14 -61.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.309 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 28.3 t30 68.74 112.5 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.56 1.163 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.25 144.3 57.06 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.337 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -80.2 83.77 6.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -71.01 157.19 90.88 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -83.93 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.508 1.794 . . . . 0.0 111.05 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 26.9 mtt 45.07 76.22 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.114 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -94.62 -65.24 1.0 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.553 1.158 . . . . 0.0 109.32 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.587 HG21 ' HB3' ' A' ' 84' ' ' ARG . 87.3 m -149.2 172.29 15.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.477 HD11 HG21 ' A' ' 101' ' ' VAL . 1.1 mp -83.03 -55.89 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 109.31 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.553 ' CE1' ' HG2' ' A' ' 84' ' ' ARG . 0.7 OUTLIER 61.16 134.24 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.488 1.118 . . . . 0.0 111.055 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' A' ' 66' ' ' LYS . 39.9 t -80.96 163.01 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.266 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.479 ' HB3' HG23 ' A' ' 24' ' ' THR . 1.1 tttp -113.04 -62.24 1.62 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.499 1.124 . . . . 0.0 109.308 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.555 ' HA ' HG22 ' A' ' 81' ' ' THR . 3.2 mt-30 -141.49 170.87 14.9 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.506 1.129 . . . . 0.0 110.256 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.0 t -136.7 111.93 11.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.423 1.077 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 19.1 tttp -45.27 161.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 1.112 . . . . 0.0 109.333 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.97 90.87 3.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.578 1.174 . . . . 0.0 110.271 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.83 28.64 3.6 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.381 1.05 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.63 -161.34 19.08 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -62.98 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.468 1.773 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.565 ' HB2' ' CD2' ' A' ' 14' ' ' LEU . . . -45.23 -53.58 8.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 11.0 t80 -44.4 -44.87 8.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.949 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.435 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.4 mm-40 -71.62 -53.84 12.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.317 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.409 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.59 -30.59 0.08 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.435 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.69 18.39 9.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.449 1.093 . . . . 0.0 111.008 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.612 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.8 tp -71.26 176.16 4.77 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.573 0.807 . . . . 0.0 109.334 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -165.22 -164.08 0.74 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.477 1.111 . . . . 0.0 108.353 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.555 HG22 ' HA ' ' A' ' 67' ' ' GLN . 47.0 p -103.18 133.03 48.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.391 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 104.43 -23.62 31.1 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -56.99 126.91 29.29 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.448 0.734 . . . . 0.0 109.386 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.587 ' HB3' HG21 ' A' ' 62' ' ' THR . 10.4 mtt180 -93.5 142.35 27.43 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 21.0 mm -83.95 134.27 27.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 109.263 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.509 HD12 ' HE3' ' A' ' 87' ' ' LYS . 28.0 pt -119.2 -39.66 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.244 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.509 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.6 mttt -134.94 161.21 35.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 72.6 t -150.75 126.16 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 49.99 56.76 7.41 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.261 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.57 26.79 0.44 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.598 1.186 . . . . 0.0 111.038 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -112.52 131.76 55.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 0.762 . . . . 0.0 110.312 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.87 108.16 5.0 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.588 1.18 . . . . 0.0 109.968 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.924 HG11 HG12 ' A' ' 101' ' ' VAL . 35.1 m -110.16 46.57 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 109.242 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 29.4 mm -77.62 -55.41 10.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -94.77 8.25 70.86 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.561 1.163 . . . . 0.0 111.061 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.413 ' HD2' HG12 ' A' ' 93' ' ' VAL . 47.0 mttm -84.51 155.8 21.98 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.562 0.801 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.958 HG22 ' HG3' ' A' ' 100' ' ' GLN . 14.5 t -99.72 157.63 16.35 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.435 1.084 . . . . 0.0 110.467 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.417 ' HA ' HG22 ' A' ' 101' ' ' VAL . 67.8 t80 -51.79 -29.65 19.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 110.982 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 3.6 t -72.88 -15.65 61.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.411 1.07 . . . . 0.0 109.965 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.958 ' HG3' HG22 ' A' ' 97' ' ' THR . 10.0 mt-30 -88.89 -59.92 2.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.283 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.924 HG12 HG11 ' A' ' 93' ' ' VAL . 21.3 m -51.08 -31.59 11.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.229 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mm -56.9 -54.52 28.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.558 1.161 . . . . 0.0 109.354 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.71 -39.01 67.76 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.542 1.152 . . . . 0.0 109.329 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.2 mt -59.41 -44.24 92.88 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.239 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 7.0 mt -66.71 -31.65 54.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.544 1.153 . . . . 0.0 109.241 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -81.73 -24.08 36.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.418 1.074 . . . . 0.0 110.371 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.453 ' N ' ' O ' ' A' ' 103' ' ' ALA . 27.5 m-80 -97.94 19.51 13.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.353 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 0.7 OUTLIER -63.15 -12.99 31.61 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 109.934 -179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.458 ' CG ' ' N ' ' A' ' 110' ' ' THR . 4.9 t0 61.26 -95.38 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 19.4 m -92.78 -63.11 1.26 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.428 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.423 ' O ' ' O ' ' A' ' 108' ' ' SER . 0.7 OUTLIER -108.83 170.0 8.32 Favored 'General case' 0 C--N 1.326 -0.413 0 O-C-N 124.444 1.09 . . . . 0.0 110.403 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.631 ' CB ' ' CE2' ' A' ' 21' ' ' PHE . 0.5 OUTLIER -136.36 108.68 7.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.382 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.458 ' N ' HD22 ' A' ' 112' ' ' LEU . 24.8 tt0 -90.5 146.3 24.22 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.283 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.554 HD12 ' CD1' ' A' ' 14' ' ' LEU . 12.7 mt -138.3 -172.16 3.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.386 1.054 . . . . 0.0 109.317 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.1 m -167.92 135.65 2.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.004 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.415 ' HA ' ' O ' ' A' ' 84' ' ' ARG . 3.6 m -133.44 -163.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.585 1.178 . . . . 0.0 109.364 179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.533 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 2.2 mmt -143.07 103.35 5.19 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.573 1.171 . . . . 0.0 110.953 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.84 139.12 24.34 Favored 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.48 1.779 . . . . 0.0 111.048 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.3 166.79 13.12 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.469 1.106 . . . . 0.0 109.183 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -57.72 126.6 28.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 2.2 t -150.85 154.75 37.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.943 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 172.3 89.41 0.07 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -24.93 12.31 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.452 1.764 . . . . 0.0 111.029 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.95 153.59 48.21 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -93.75 -54.37 3.66 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.636 1.21 . . . . 0.0 110.073 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.94 -59.01 1.62 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.532 0.784 . . . . 0.0 109.954 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m 61.88 107.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.443 1.089 . . . . 0.0 109.966 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.95 100.2 0.16 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.439 1.087 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.5 t -171.61 85.56 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.459 0.741 . . . . 0.0 109.912 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -174.44 151.34 1.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.056 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.42 -158.15 0.27 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.477 1.111 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 167.34 -136.66 4.23 Favored Glycine 0 CA--C 1.53 1.006 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 172.11 17.01 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.551 1.816 . . . . 0.0 111.029 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.595 ' HG2' HG22 ' A' ' 116' ' ' VAL . 1.8 ttpt -86.41 138.83 31.47 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.426 1.079 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.433 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 7.6 m -128.5 139.3 52.39 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.582 1.176 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.672 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -142.4 133.77 25.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.8 m -102.08 149.08 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 110.346 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.728 HD13 HD12 ' A' ' 114' ' ' LEU . 5.2 mp -140.26 125.61 18.87 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.816 ' HG3' HG22 ' A' ' 111' ' ' THR . 0.0 OUTLIER -98.26 117.72 33.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.46 1.1 . . . . 0.0 109.226 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 ttt-85 -42.69 112.23 0.33 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.604 1.19 . . . . 0.0 110.26 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.1 p -73.94 -39.53 63.71 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.633 1.208 . . . . 0.0 110.374 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 169.76 -75.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.554 1.159 . . . . 0.0 110.059 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -116.41 101.63 8.81 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.427 1.079 . . . . 0.0 110.392 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 67.92 127.79 0.03 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.48 1.112 . . . . 0.0 110.968 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.568 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 70.2 m-85 -56.0 171.91 0.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.585 0.815 . . . . 0.0 111.065 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.438 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . -55.31 -82.89 0.05 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.906 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.523 ' CE1' HD11 ' A' ' 114' ' ' LEU . 15.4 p90 -46.96 174.22 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.427 0.722 . . . . 0.0 111.089 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.2 t -147.97 167.05 25.89 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.521 1.138 . . . . 0.0 110.432 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.611 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.9 mm? -109.88 167.75 9.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.155 . . . . 0.0 109.287 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.96 156.45 39.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 69.2 145.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.561 1.163 . . . . 0.0 109.568 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -114.53 -49.86 2.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.162 . . . . 0.0 110.934 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.593 ' O ' ' CE1' ' A' ' 31' ' ' TYR . 59.3 mt 40.23 85.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.102 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.0 p -83.69 144.58 9.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CE1' ' O ' ' A' ' 29' ' ' ILE . 4.9 m-85 -121.88 77.79 40.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.96 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.416 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 18.1 Cg_endo -75.05 149.06 35.96 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.508 1.794 . . . . 0.0 110.955 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 32' ' ' PRO . 18.3 Cg_endo -74.95 162.5 37.12 Favored 'Trans proline' 0 C--N 1.359 1.088 0 O-C-N 124.538 1.81 . . . . 0.0 111.016 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.446 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.8 OUTLIER -70.69 127.01 31.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.544 1.152 . . . . 0.0 110.396 179.903 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.4 t 67.55 -66.07 0.22 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 109.991 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . 65.54 152.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.535 HG22 ' N ' ' A' ' 38' ' ' GLN . 6.6 mt -93.43 -101.33 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.535 ' N ' HG22 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -101.37 -60.25 1.56 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.528 1.143 . . . . 0.0 110.29 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 60.3 t80 57.19 111.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.2 m -125.65 148.89 48.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.006 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -90.74 97.4 11.16 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 110.902 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 8.1 mptt -56.52 -169.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.417 1.073 . . . . 0.0 109.282 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -146.07 -52.22 0.24 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -126.95 100.71 6.26 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.484 1.115 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -166.53 -60.0 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.409 1.068 . . . . 0.0 110.332 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -174.86 -57.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.359 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 148.69 -99.69 0.2 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.493 1.12 . . . . 0.0 110.943 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -176.74 152.45 0.99 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 0.763 . . . . 0.0 109.295 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.3 mtm-85 -172.49 135.83 0.73 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 110.331 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 123.4 170.45 13.42 Favored Glycine 0 CA--C 1.531 1.076 0 O-C-N 124.457 1.098 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 135.93 111.73 1.14 Allowed Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.054 -0.819 . . . . 0.0 111.054 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 ttpt -167.85 166.57 13.46 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.383 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 57.65 164.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.556 1.16 . . . . 0.0 110.252 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 55' ' ' ASN . 41.2 ttm180 63.66 145.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.406 ' O ' ' O ' ' A' ' 54' ' ' ARG . 17.6 t30 61.07 147.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 10.3 ttp180 -61.74 -150.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.522 1.139 . . . . 0.0 110.333 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.611 ' N ' HD23 ' A' ' 57' ' ' LEU . 2.7 mt -76.63 -153.45 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.14 . . . . 0.0 109.27 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.495 ' CG ' ' O ' ' A' ' 57' ' ' LEU . 23.1 mt-10 -162.22 159.63 21.16 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.605 1.191 . . . . 0.0 110.288 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -161.23 0.12 Allowed 'Trans proline' 0 C--N 1.358 1.045 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 11.7 ptt? -146.14 -170.45 3.49 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -166.94 123.46 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.548 1.155 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.569 HG22 ' CD2' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -82.91 -4.86 58.68 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.405 1.066 . . . . 0.0 110.421 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.611 ' CG2' HD12 ' A' ' 25' ' ' LEU . 2.2 mp 67.92 -68.74 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.271 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.569 ' CD2' HG22 ' A' ' 62' ' ' THR . 0.4 OUTLIER 58.0 158.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.781 HG11 ' O ' ' A' ' 80' ' ' CYS . 58.9 t -92.28 149.86 4.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.12 -60.45 1.84 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -134.81 162.64 31.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.281 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.495 HG21 ' CA ' ' A' ' 80' ' ' CYS . 49.5 t -131.93 118.32 37.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 0.3 OUTLIER -49.64 97.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.446 1.091 . . . . 0.0 109.246 -179.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.91 94.58 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.24 12.38 12.14 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -102.68 -154.09 24.85 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -64.76 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.606 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -42.17 -56.48 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.55 1.157 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -44.36 -48.11 9.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.445 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -71.66 -53.16 14.48 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 76' ' ' GLU . . . -39.53 -30.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.27 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.445 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.17 7.88 15.99 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.406 1.066 . . . . 0.0 110.955 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.672 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -68.63 176.56 2.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.578 0.811 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.781 ' O ' HG11 ' A' ' 65' ' ' VAL . 14.6 p -173.45 -155.45 0.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 108.259 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 11.5 p -103.48 132.49 49.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.383 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 116.21 -50.37 0.79 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.447 1.092 . . . . 0.0 111.022 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.683 ' O ' HG23 ' A' ' 65' ' ' VAL . 94.5 m-20 -50.46 135.5 22.29 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.508 0.769 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.0 ptt180 -113.68 145.21 41.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 110.248 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.529 HD12 HG12 ' A' ' 116' ' ' VAL . 1.5 mp -82.47 118.05 29.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.526 1.141 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.605 HD12 ' HE3' ' A' ' 87' ' ' LYS . 42.6 pt -105.01 -28.23 2.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.605 ' HE3' HD12 ' A' ' 86' ' ' ILE . 24.6 mttt -132.51 166.04 22.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.323 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 87' ' ' LYS . 38.9 t -152.32 115.39 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.443 1.089 . . . . 0.0 109.353 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 73.0 m-20 53.57 32.13 13.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 78.9 5.16 88.79 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.522 1.139 . . . . 0.0 111.035 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.679 ' OE1' HD22 ' A' ' 104' ' ' LEU . 4.3 tt0 -95.34 117.05 29.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.581 0.813 . . . . 0.0 110.262 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 8.5 p -64.14 129.3 39.43 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 110.025 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.583 ' HB ' HG11 ' A' ' 101' ' ' VAL . 2.4 m -81.78 -23.73 9.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.3 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.403 ' C ' ' O ' ' A' ' 93' ' ' VAL . 2.9 mp -40.43 116.76 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.79 -45.17 2.34 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.455 1.097 . . . . 0.0 111.004 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.426 ' N ' ' O ' ' A' ' 93' ' ' VAL . 21.9 mttp -57.96 145.79 34.69 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.795 . . . . 0.0 109.319 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.446 HG22 ' HG3' ' A' ' 100' ' ' GLN . 8.4 t -89.97 155.13 19.32 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.133 . . . . 0.0 110.403 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.55 ' CE1' HD11 ' A' ' 102' ' ' ILE . 18.1 t80 -42.1 -42.63 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.954 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.74 -45.08 93.3 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.533 1.146 . . . . 0.0 109.995 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.446 ' HG3' HG22 ' A' ' 97' ' ' THR . 1.9 mt-30 -56.34 -63.85 1.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.583 HG11 ' HB ' ' A' ' 93' ' ' VAL . 32.7 m -50.71 -42.54 22.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.264 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.55 HD11 ' CE1' ' A' ' 98' ' ' TYR . 2.3 mm -51.08 -49.71 27.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.7 -39.4 94.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.679 HD22 ' OE1' ' A' ' 91' ' ' GLU . 63.5 mt -56.77 -20.52 22.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.256 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.463 HG23 ' CE2' ' A' ' 21' ' ' PHE . 40.5 mt -92.2 -49.75 12.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.372 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -62.55 -41.9 99.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -87.4 10.41 17.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.496 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 19.3 t -70.58 -8.57 52.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.993 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.496 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.6 t0 81.47 -158.78 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.511 1.132 . . . . 0.0 109.244 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.0 m -54.68 -61.37 2.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.576 1.172 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.816 HG22 ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -89.48 154.02 20.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.368 1.043 . . . . 0.0 110.434 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.765 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -146.45 124.26 11.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.562 1.164 . . . . 0.0 109.143 -179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.765 ' N ' HD22 ' A' ' 112' ' ' LEU . 23.9 tt0 -104.83 136.92 43.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 110.336 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.728 HD12 HD13 ' A' ' 14' ' ' LEU . 9.9 mt -121.75 167.61 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -139.76 123.24 17.19 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.512 1.133 . . . . 0.0 109.899 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.595 HG22 ' HG2' ' A' ' 10' ' ' LYS . 25.2 m -126.57 -175.68 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.479 1.112 . . . . 0.0 109.319 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . . . . . . . . . 1.1 mmt -131.39 107.94 14.69 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.638 1.211 . . . . 0.0 111.006 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.92 172.97 15.28 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.58 1.831 . . . . 0.0 111.058 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 25.0 tptt -144.71 -67.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.336 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -88.05 94.61 9.85 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.359 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 74.0 m -46.24 135.54 7.8 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 109.933 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -98.58 -171.83 31.9 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.088 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.33 0.04 OUTLIER 'Trans proline' 0 C--N 1.358 1.075 0 O-C-N 124.569 1.826 . . . . 0.0 110.955 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 15.9 t -131.45 173.64 10.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 110.063 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 14.8 t -173.67 113.67 0.21 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.483 1.114 . . . . 0.0 110.004 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 O-C-N 124.61 1.194 . . . . 0.0 111.034 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -155.83 136.84 13.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 0.765 . . . . 0.0 110.013 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.17 110.15 20.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.938 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.01 145.43 17.89 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.458 1.099 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.14 162.94 35.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 0.792 . . . . 0.0 109.971 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -125.39 -51.74 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.611 1.194 . . . . 0.0 109.966 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.91 93.65 0.54 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.536 1.147 . . . . 0.0 111.009 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.6 -136.42 4.17 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.943 -0.863 . . . . 0.0 110.943 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.52 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo -74.99 174.72 12.3 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.481 1.779 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' HE2' ' CG2' ' A' ' 116' ' ' VAL . 2.2 ttpt -103.08 140.0 37.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 94.0 m -125.52 139.98 53.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.615 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -141.81 141.92 28.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 109.269 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.543 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 4.9 m -113.1 158.26 20.59 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.3 mp -143.09 137.97 29.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 5.2 mttt -121.97 113.98 20.33 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.583 1.177 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 7.0 ttt180 -41.56 114.64 0.54 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.412 1.07 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.475 ' O ' ' CB ' ' A' ' 18' ' ' SER . 2.1 t -103.93 18.39 22.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.382 1.051 . . . . 0.0 110.354 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 17' ' ' THR . 0.5 OUTLIER 160.74 -91.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.053 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mt-30 -124.87 146.77 49.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.276 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.491 ' O ' ' CG ' ' A' ' 21' ' ' PHE . . . 46.2 -115.54 1.82 Allowed Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.55 1.156 . . . . 0.0 110.967 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.511 ' CZ ' ' CB ' ' A' ' 112' ' ' LEU . 56.9 m-85 -164.08 144.56 8.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 0.782 . . . . 0.0 110.967 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -39.25 -81.35 0.02 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.514 1.134 . . . . 0.0 111.021 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.752 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 4.1 p90 -48.8 171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 0.761 . . . . 0.0 111.101 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.531 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.5 t -158.3 156.09 30.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.449 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.649 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -109.94 161.58 15.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.94 142.12 34.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 172.64 -71.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.669 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.422 ' O ' HG23 ' A' ' 30' ' ' VAL . 0.4 OUTLIER 46.8 28.43 0.82 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 110.976 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -40.21 142.89 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.246 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.642 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 3.2 t -140.01 132.19 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.47 1.106 . . . . 0.0 109.265 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.642 ' CD1' ' C ' ' A' ' 30' ' ' VAL . 72.0 m-85 -159.6 68.12 3.03 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 111.102 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.477 ' HD3' ' CG1' ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.01 172.23 16.77 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.507 1.793 . . . . 0.0 111.048 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.21 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.426 1.75 . . . . 0.0 110.963 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -95.53 -79.24 0.44 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.431 1.082 . . . . 0.0 110.295 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 5.1 t -116.79 53.95 0.88 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.61 1.194 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -125.97 71.91 1.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.589 1.181 . . . . 0.0 109.353 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.9 mm -73.99 136.98 24.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.282 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -70.84 132.19 44.92 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.374 1.047 . . . . 0.0 110.236 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -40.69 -56.29 2.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 m -76.85 -167.51 0.86 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 109.976 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -120.87 172.84 7.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 111.074 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt 61.81 94.8 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -45.16 -54.91 6.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 38.85 84.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.483 1.114 . . . . 0.0 110.239 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER 68.0 165.69 0.24 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.33 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -44.57 113.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.6 85.96 1.55 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.508 1.13 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 69.7 m-20 -164.53 97.25 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.576 0.809 . . . . 0.0 109.331 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.93 112.56 3.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.1 . . . . 0.0 110.306 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 89.92 97.07 1.12 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.572 1.17 . . . . 0.0 111.0 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -42.18 102.26 0.03 OUTLIER Glycine 0 CA--C 1.531 1.05 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.45 -59.73 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.454 0.737 . . . . 0.0 109.37 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -71.78 79.93 0.86 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.418 1.074 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' NH1' ' O ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER -75.5 -49.13 19.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.35 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.412 ' O ' ' O ' ' A' ' 54' ' ' ARG . 3.4 m120 61.34 123.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.515 ' C ' HD22 ' A' ' 57' ' ' LEU . 0.0 OUTLIER 59.15 -166.24 0.18 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.49 1.119 . . . . 0.0 110.317 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.515 HD22 ' C ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -105.17 -174.31 2.5 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -167.34 159.48 10.41 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.145 . . . . 0.0 110.283 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.495 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -75.04 -88.44 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.556 1.819 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 50.17 79.17 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.39 1.056 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.06 -69.06 0.88 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.457 HG22 ' N ' ' A' ' 63' ' ' ILE . 97.9 m -156.71 170.98 21.19 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.408 1.068 . . . . 0.0 110.382 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.471 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.2 mp -103.14 155.42 5.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.585 1.178 . . . . 0.0 109.229 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -143.92 141.94 30.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.547 1.155 . . . . 0.0 110.963 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 58.4 t -68.54 153.33 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.531 ' HB3' HG23 ' A' ' 24' ' ' THR . 6.9 ttpt -110.46 -71.07 0.78 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.59 1.181 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.02 169.07 15.15 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.359 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 51.5 t -136.57 122.97 29.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.405 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 0.9 OUTLIER -68.33 113.59 6.05 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.634 1.209 . . . . 0.0 109.341 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -66.99 95.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.219 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.71 25.68 4.77 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.451 1.094 . . . . 0.0 111.014 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -108.56 -157.41 18.8 Favored Glycine 0 CA--C 1.529 0.956 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 -60.5 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.5 1.789 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.72 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -49.93 -56.47 10.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -39.61 -44.9 1.54 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 0.0 111.056 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -67.33 -57.17 7.12 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.16 -31.96 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.342 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.431 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.88 6.08 28.6 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.457 1.098 . . . . 0.0 110.958 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.615 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -52.08 -179.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.418 ' N ' ' OD2' ' A' ' 83' ' ' ASP . 0.7 OUTLIER -161.36 -170.43 2.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 108.306 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 66.0 p -103.17 136.39 43.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 110.34 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 91.48 5.09 67.42 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.479 1.112 . . . . 0.0 111.028 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.418 ' OD2' ' N ' ' A' ' 80' ' ' CYS . 18.4 m-20 -70.7 138.48 50.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 0.802 . . . . 0.0 109.319 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.453 ' CD ' HG21 ' A' ' 62' ' ' THR . 21.8 ttt180 -93.77 129.22 40.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.331 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.672 HD13 HG12 ' A' ' 116' ' ' VAL . 47.4 mm -82.75 131.76 32.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.62 1.2 . . . . 0.0 109.34 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.693 HG21 ' HG3' ' A' ' 117' ' ' MET . 20.3 pt -115.88 -40.5 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.383 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.6 mttt -135.04 164.88 26.63 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.591 1.182 . . . . 0.0 109.36 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.622 HG22 HD23 ' A' ' 114' ' ' LEU . 2.7 t -150.7 100.46 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.15 . . . . 0.0 109.302 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.502 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 1.1 m-20 70.56 37.92 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.4 1.063 . . . . 0.0 109.323 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 70.04 15.34 71.83 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -105.87 141.86 36.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.569 0.805 . . . . 0.0 110.252 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 21.8 m -81.24 117.92 22.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.096 . . . . 0.0 109.977 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 6.0 m -67.28 -31.81 54.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.592 1.183 . . . . 0.0 109.376 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.4 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.4 mp -50.63 104.93 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 114.05 24.1 4.66 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.489 1.118 . . . . 0.0 110.966 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.524 ' HE2' HD11 ' A' ' 104' ' ' LEU . 34.2 mttp -125.24 170.07 11.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.459 0.741 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.717 HG23 ' O ' ' A' ' 97' ' ' THR . 5.0 t -132.41 48.77 2.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.425 ' HB3' ' O ' ' A' ' 97' ' ' THR . 4.8 t80 66.3 -63.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.16 . . . . 0.0 110.981 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.503 ' OG ' HG23 ' A' ' 97' ' ' THR . 0.3 OUTLIER -48.27 -26.03 1.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.916 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.448 ' NE2' ' HA ' ' A' ' 96' ' ' LYS . 40.2 mt-30 -77.98 -67.3 0.74 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.371 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.519 HG13 ' CD ' ' A' ' 96' ' ' LYS . 16.2 m -50.8 -36.85 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.34 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.8 mm -56.13 -48.71 78.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 0.0 109.316 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.426 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -61.5 -38.31 86.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.488 1.117 . . . . 0.0 109.279 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.524 HD11 ' HE2' ' A' ' 96' ' ' LYS . 83.8 mt -58.07 -29.83 65.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.647 HG23 ' HG ' ' A' ' 112' ' ' LEU . 19.8 mt -82.51 -46.74 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -65.55 -26.66 67.98 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.469 1.106 . . . . 0.0 110.274 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.426 ' N ' ' O ' ' A' ' 103' ' ' ALA . 46.5 m-80 -107.83 24.14 13.4 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.326 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.68 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -86.99 -5.42 59.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 110.004 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 81.86 -157.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.358 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 87.5 m -60.4 -40.61 91.53 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.147 . . . . 0.0 110.395 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.46 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -101.2 155.07 18.23 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.537 1.148 . . . . 0.0 110.389 179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.68 HD23 ' OG ' ' A' ' 108' ' ' SER . 1.1 tm? -147.65 118.98 7.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.268 -179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.535 ' N ' HD22 ' A' ' 112' ' ' LEU . 2.0 tm-20 -101.23 143.53 31.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.466 1.103 . . . . 0.0 110.392 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.752 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 13.7 mt -128.78 -169.09 2.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 109.302 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -169.39 133.31 1.34 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 0.0 110.018 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.672 HG12 HD13 ' A' ' 85' ' ' ILE . 12.2 m -135.34 -163.92 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.594 1.184 . . . . 0.0 109.305 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.693 ' HG3' HG21 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -143.85 110.24 5.18 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.547 1.154 . . . . 0.0 110.961 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 150.93 39.1 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.471 1.774 . . . . 0.0 111.077 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 2.6 mtmt -106.52 157.49 17.63 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.577 1.173 . . . . 0.0 109.316 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -68.24 -56.67 7.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.104 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -64.86 158.24 25.66 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 109.991 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 135.04 105.03 0.81 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.481 1.113 . . . . 0.0 110.987 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 166.16 29.73 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.504 1.792 . . . . 0.0 110.958 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 50.2 m 66.5 142.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.971 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 46.3 t -101.49 -60.12 1.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.47 1.106 . . . . 0.0 109.971 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.593 1.183 . . . . 0.0 111.004 179.981 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -166.39 160.46 15.65 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 0.798 . . . . 0.0 110.014 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.7 t -131.6 -55.82 1.01 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 126.83 -155.82 19.86 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.517 1.136 . . . . 0.0 111.059 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -170.27 149.86 3.51 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.393 0.702 . . . . 0.0 110.047 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 m 59.72 167.4 0.07 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 110.046 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.35 -137.58 2.75 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.482 1.114 . . . . 0.0 111.055 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.51 -77.96 0.59 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.404 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.3 Cg_endo -74.98 163.2 35.85 Favored 'Trans proline' 0 C--N 1.359 1.08 0 O-C-N 124.532 1.806 . . . . 0.0 110.978 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.9 tptt -89.67 147.15 24.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.436 1.085 . . . . 0.0 109.28 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.3 m -135.39 134.41 39.7 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.382 1.051 . . . . 0.0 110.428 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.737 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -139.34 143.86 30.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 55.5 m -117.78 146.35 43.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.397 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.739 HD21 ' HB2' ' A' ' 74' ' ' ALA . 6.1 mp -128.42 160.86 30.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.213 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.58 ' HG2' HG22 ' A' ' 111' ' ' THR . 7.0 mttm -123.65 129.04 50.53 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.496 1.123 . . . . 0.0 109.287 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.43 ' N ' ' CE2' ' A' ' 21' ' ' PHE . 3.8 ttt180 -47.09 110.34 0.29 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 110.244 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.573 HG22 ' HG3' ' A' ' 73' ' ' PRO . 12.1 t -156.07 138.45 14.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.571 1.169 . . . . 0.0 110.465 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.67 80.61 0.1 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 109.966 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 71.3 mt-30 42.31 91.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.277 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.48 ' C ' ' CD1' ' A' ' 21' ' ' PHE . . . 73.32 -97.13 0.84 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.494 1.121 . . . . 0.0 110.913 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.595 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 69.3 m-85 -157.06 -179.0 7.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 0.786 . . . . 0.0 110.929 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.656 ' O ' ' CD2' ' A' ' 23' ' ' PHE . . . -82.02 -155.99 16.87 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.517 1.136 . . . . 0.0 110.98 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.665 ' HE2' HD22 ' A' ' 14' ' ' LEU . 12.2 p90 46.36 178.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 0.74 . . . . 0.0 111.075 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.942 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.5 t -158.71 162.24 37.16 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.432 1.083 . . . . 0.0 110.362 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.548 HD21 ' HE1' ' A' ' 23' ' ' PHE . 1.4 mm? -112.37 169.59 8.77 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -155.16 148.61 25.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.15 . . . . 0.0 110.263 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.649 ' NE2' ' CD2' ' A' ' 98' ' ' TYR . 0.3 OUTLIER -175.32 106.54 0.09 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.108 . . . . 0.0 109.65 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.42 ' O ' ' C ' ' A' ' 29' ' ' ILE . 1.1 t80 -93.41 -38.36 11.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.516 HG22 ' CD2' ' A' ' 31' ' ' TYR . 23.9 mt -38.3 114.29 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.309 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.508 HG13 ' HD3' ' A' ' 32' ' ' PRO . 18.4 t -94.28 143.96 10.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.614 ' N ' ' CD1' ' A' ' 31' ' ' TYR . 0.0 OUTLIER -179.73 61.82 0.12 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.434 1.084 . . . . 0.0 111.054 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.508 ' HD3' HG13 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -74.93 156.44 43.29 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.579 1.831 . . . . 0.0 111.015 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.565 ' HG2' ' HB3' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.98 -2.75 12.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.472 1.775 . . . . 0.0 111.043 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 62.37 147.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 110.35 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 t 54.3 22.96 4.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.413 1.07 . . . . 0.0 110.059 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB3' ' HG2' ' A' ' 33' ' ' PRO . . . -136.89 171.53 14.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 109.256 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 74.5 mt 61.66 121.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.285 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.8 pp0? -175.67 48.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 110.299 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -165.98 -178.49 4.72 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 110.972 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.08 109.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -168.82 168.37 10.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 111.006 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.05 118.63 21.21 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.2 p30 -110.15 128.96 55.76 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.454 1.096 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.71 -169.51 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.408 1.068 . . . . 0.0 110.324 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -115.03 97.59 6.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.267 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.63 HD22 ' N ' ' A' ' 46' ' ' ASN . 0.0 OUTLIER -169.43 152.4 4.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 82.84 139.27 3.36 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.42 1.075 . . . . 0.0 110.985 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -174.56 117.12 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.409 0.711 . . . . 0.0 109.316 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.72 -56.9 0.68 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 110.332 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 171.92 -162.89 35.21 Favored Glycine 0 CA--C 1.528 0.889 0 O-C-N 124.418 1.074 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -154.42 170.67 32.87 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 110.946 -0.862 . . . . 0.0 110.946 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -114.97 166.18 12.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.462 0.742 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 67.37 168.84 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.552 1.158 . . . . 0.0 110.306 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -173.3 -41.64 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 62.23 161.99 0.08 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.578 1.173 . . . . 0.0 109.304 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.552 ' O ' HD23 ' A' ' 57' ' ' LEU . 40.1 ttp180 -152.92 66.68 0.79 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER 174.91 73.06 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 25.0 mt-10 -107.33 160.14 27.59 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.615 1.197 . . . . 0.0 110.342 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 18.4 Cg_endo -74.95 -73.09 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.436 1.756 . . . . 0.0 111.028 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.66 -45.35 0.6 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.539 1.149 . . . . 0.0 111.065 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.0 t0 43.43 66.46 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.594 HG21 ' CD ' ' A' ' 84' ' ' ARG . 0.0 OUTLIER -121.5 177.33 5.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.42 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.446 ' CD1' HG21 ' A' ' 101' ' ' VAL . 2.6 mp -128.99 89.82 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.586 1.179 . . . . 0.0 109.237 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 46.5 m-85 -82.47 131.11 35.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.918 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.496 HG11 ' O ' ' A' ' 80' ' ' CYS . 40.4 t -71.18 98.37 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.942 ' HB3' HG23 ' A' ' 24' ' ' THR . 3.8 tptt -44.35 -52.89 7.29 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.789 ' HA ' HG22 ' A' ' 81' ' ' THR . 1.3 mt-30 -159.78 -177.73 6.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 110.298 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.547 HG11 ' HA ' ' A' ' 75' ' ' PHE . 49.2 t -137.79 111.54 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.577 1.173 . . . . 0.0 109.291 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -46.13 126.73 7.94 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 109.379 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.38 88.69 1.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.96 24.44 4.56 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -99.96 -169.12 29.61 Favored Glycine 0 CA--C 1.531 1.083 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.573 ' HG3' HG22 ' A' ' 17' ' ' THR . 18.1 Cg_endo -75.05 -39.97 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 0.0 110.987 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.739 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -67.27 -48.92 66.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.547 ' HA ' HG11 ' A' ' 68' ' ' VAL . 5.5 t80 -50.74 -42.84 57.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.564 1.165 . . . . 0.0 111.066 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.425 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.7 mm-40 -67.56 -53.02 31.9 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.98 -27.42 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.425 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.39 6.8 31.03 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.458 1.099 . . . . 0.0 111.053 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.737 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -55.56 161.5 2.0 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.542 0.789 . . . . 0.0 109.28 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.496 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -134.96 -172.12 2.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.533 1.146 . . . . 0.0 108.36 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.789 HG22 ' HA ' ' A' ' 67' ' ' GLN . 33.1 p -103.43 136.12 43.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 110.472 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.33 15.37 64.46 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.42 1.075 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.405 ' OD2' ' C ' ' A' ' 80' ' ' CYS . 49.9 m-20 -82.46 136.73 34.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 109.267 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.594 ' CD ' HG21 ' A' ' 62' ' ' THR . 14.5 mtp180 -93.85 131.39 39.29 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.404 1.065 . . . . 0.0 110.336 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.588 HD13 HG12 ' A' ' 116' ' ' VAL . 19.8 mm -82.91 137.78 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.661 ' O ' HG22 ' A' ' 93' ' ' VAL . 31.9 pt -119.02 -40.59 2.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.525 ' HE3' HD12 ' A' ' 86' ' ' ILE . 5.2 mttt -129.38 158.87 37.93 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.644 HG22 HD23 ' A' ' 114' ' ' LEU . 87.2 t -157.07 128.5 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.291 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.402 HD21 HD23 ' A' ' 112' ' ' LEU . 25.9 m120 50.26 27.23 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 54.82 40.74 73.24 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.528 1.143 . . . . 0.0 111.025 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -108.1 -4.09 18.04 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.526 0.78 . . . . 0.0 110.29 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.3 t 59.0 94.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 110.058 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.87 HG11 HG12 ' A' ' 101' ' ' VAL . 11.6 m -93.65 14.2 2.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.555 ' H ' HD12 ' A' ' 94' ' ' ILE . 4.4 mp -68.07 90.05 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 112.18 6.04 24.44 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.452 1.095 . . . . 0.0 110.999 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 29.9 mttm -87.12 -172.95 4.2 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 0.774 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.2 t -123.64 158.73 30.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.58 1.175 . . . . 0.0 110.39 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.649 ' CD2' ' NE2' ' A' ' 27' ' ' HIS . 8.3 t80 -44.84 -55.52 5.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 111.037 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -46.03 -46.0 16.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.8 -68.98 0.25 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.87 HG12 HG11 ' A' ' 93' ' ' VAL . 13.4 m -46.81 -34.48 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.242 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 7.5 mm -61.05 -60.72 2.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.341 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -47.91 -42.05 26.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.245 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 21.0 mt -53.48 -49.03 68.35 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.326 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 12.4 mt -60.76 -38.04 77.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.335 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -76.32 -19.79 57.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.415 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.455 ' N ' ' O ' ' A' ' 103' ' ' ALA . 65.2 m-20 -105.52 20.54 18.72 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.39 1.056 . . . . 0.0 109.367 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 20.4 m -62.07 -13.78 29.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.1 . . . . 0.0 109.958 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.443 ' CG ' ' N ' ' A' ' 110' ' ' THR . 11.8 t0 60.05 -96.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 109.282 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 91.2 m -92.66 -63.12 1.26 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 110.396 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.58 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -114.07 161.27 17.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.444 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.595 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 1.2 tm? -122.22 108.92 13.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.41 1.069 . . . . 0.0 109.29 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.428 ' N ' HD22 ' A' ' 112' ' ' LEU . 36.7 tt0 -89.27 131.98 35.12 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 110.315 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.644 HD23 HG22 ' A' ' 88' ' ' VAL . 29.1 mt -124.48 179.08 5.08 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.559 1.162 . . . . 0.0 109.38 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.2 m -166.79 130.95 2.0 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.576 1.172 . . . . 0.0 109.99 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.588 HG12 HD13 ' A' ' 85' ' ' ILE . 15.1 m -129.9 -173.71 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.608 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.6 OUTLIER -131.26 97.55 19.71 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 111.083 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 149.19 36.66 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.533 1.807 . . . . 0.0 111.066 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -118.57 163.25 17.07 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.535 1.147 . . . . 0.0 109.358 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -50.6 108.62 0.24 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.303 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.18 139.49 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.52 1.137 . . . . 0.0 110.031 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 176.79 -73.89 0.08 OUTLIER Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.578 1.174 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 165.17 31.89 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.492 1.785 . . . . 0.0 111.025 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.59 81.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 25.3 t -143.99 160.55 40.66 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 110.027 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.101 0 O-C-N 124.462 1.101 . . . . 0.0 110.928 179.934 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m 44.06 88.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 0.0 109.996 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t -127.18 143.85 51.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.11 . . . . 0.0 109.981 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.14 -154.87 7.32 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.129 . . . . 0.0 111.058 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.0 m 42.89 87.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 0.79 . . . . 0.0 109.987 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.7 t -149.96 -51.82 0.14 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.5 1.125 . . . . 0.0 109.945 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.58 -71.98 0.29 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 172.47 78.32 0.05 OUTLIER Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.53 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 18.2 Cg_endo -75.03 156.85 42.87 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.476 1.777 . . . . 0.0 111.004 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.5 tptt -95.37 139.35 31.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.392 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 54.2 m -124.91 143.67 50.74 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 110.376 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.547 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -144.96 123.9 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.674 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 24.5 m -95.5 157.43 15.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 0.0 110.378 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD12 ' C ' ' A' ' 13' ' ' THR . 5.6 mp -141.09 156.95 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.448 ' HD3' ' CG2' ' A' ' 111' ' ' THR . 6.7 mttm -130.49 117.02 19.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.35 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -46.02 113.63 0.65 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.382 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.0 t -142.98 119.47 10.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.151 . . . . 0.0 110.481 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 33.1 m 65.07 178.72 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.0 tt0 -43.91 115.57 0.84 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.544 1.153 . . . . 0.0 110.288 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 49.46 -177.98 0.02 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.591 1.182 . . . . 0.0 111.044 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.534 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 49.3 m-85 -76.09 -174.3 2.68 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.564 0.802 . . . . 0.0 111.011 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -78.49 -84.91 0.54 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.512 1.132 . . . . 0.0 110.963 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.55 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 4.6 p90 -46.36 169.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.473 ' C ' HD13 ' A' ' 25' ' ' LEU . 7.1 t -156.38 156.19 33.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.605 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -109.15 169.35 8.74 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.557 1.161 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -156.06 175.98 13.26 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 57.1 m-70 65.97 114.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 109.605 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 32.5 p90 -155.77 158.55 38.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 111.031 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.6 mt -123.92 -53.64 2.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.482 1.114 . . . . 0.0 109.357 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.525 HG12 ' H ' ' A' ' 31' ' ' TYR . 15.6 t 54.28 171.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.555 1.16 . . . . 0.0 109.314 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.525 ' H ' HG12 ' A' ' 30' ' ' VAL . 12.4 m-85 -136.65 61.85 38.86 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 111.023 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.434 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -75.0 165.4 31.4 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.453 1.765 . . . . 0.0 110.995 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -177.3 3.36 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.555 1.818 . . . . 0.0 110.968 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -80.34 -60.26 2.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.12 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.8 t -119.47 -60.38 1.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.633 1.208 . . . . 0.0 109.923 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 53.24 93.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.229 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.63 ' H ' HD12 ' A' ' 37' ' ' ILE . 2.3 mp -72.35 71.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.117 . . . . 0.0 109.198 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.84 86.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 110.277 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' O ' ' O ' ' A' ' 40' ' ' SER . 0.4 OUTLIER -74.03 -62.19 1.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.958 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.402 ' O ' ' O ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER 50.88 99.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.14 . . . . 0.0 110.007 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.634 ' CD1' ' O ' ' A' ' 41' ' ' TYR . 0.8 OUTLIER -171.19 124.86 0.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.622 1.201 . . . . 0.0 110.976 -179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.73 149.0 0.45 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.496 1.123 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 60.08 110.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.531 ' O ' ' C ' ' A' ' 45' ' ' GLU . 7.9 mp0 -71.24 150.9 44.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.314 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 44' ' ' GLU . 0.2 OUTLIER 27.21 82.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.266 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.43 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 53.7 t-20 -170.1 150.63 3.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.36 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.43 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . 98.67 -169.74 23.59 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.336 1.023 . . . . 0.0 111.05 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -160.96 97.06 1.14 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 0.773 . . . . 0.0 109.332 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 1.1 mpp_? -149.85 168.9 22.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.262 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 172.08 -158.13 28.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.607 1.192 . . . . 0.0 111.044 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 169.8 -156.54 27.46 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.26 157.53 41.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.588 0.816 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -167.99 167.66 12.54 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.609 1.193 . . . . 0.0 110.264 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.6 mtt180 -86.02 94.4 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.132 . . . . 0.0 110.271 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -138.53 106.84 5.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 109.339 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.542 ' O ' HD13 ' A' ' 57' ' ' LEU . 10.9 ttt180 -137.52 64.92 1.51 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.434 1.083 . . . . 0.0 110.243 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 56' ' ' ARG . 1.2 tp 174.81 96.51 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.447 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 44.9 mt-10 -125.91 160.36 57.05 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.375 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.447 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 18.4 Cg_endo -74.87 -81.95 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.481 1.779 . . . . 0.0 111.059 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 42.9 mtp 58.88 166.54 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.547 1.155 . . . . 0.0 111.012 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.477 ' O ' ' HB ' ' A' ' 62' ' ' THR . 46.3 m-20 -148.79 32.03 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.423 1.077 . . . . 0.0 109.226 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 61' ' ' ASP . 0.6 OUTLIER 72.21 -0.99 3.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.522 -179.929 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.541 HG13 ' CE2' ' A' ' 98' ' ' TYR . 2.5 mp 57.74 100.67 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 0.0 109.324 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -109.48 157.3 19.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.722 HG11 ' O ' ' A' ' 80' ' ' CYS . 78.6 t -79.51 149.34 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.3 tttt -112.64 -64.78 1.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.211 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -135.91 162.79 31.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.445 1.09 . . . . 0.0 110.337 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.3 t -132.31 120.96 44.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.322 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -55.12 116.78 2.98 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.417 1.073 . . . . 0.0 109.245 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -70.69 92.16 0.85 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.27 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.65 33.74 2.59 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -118.62 -154.91 9.77 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -67.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.008 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -41.46 -50.71 3.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.287 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -47.02 -45.98 21.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.941 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.443 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.3 mm-40 -69.71 -53.27 19.3 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.362 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.674 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.5 -29.86 0.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.619 1.199 . . . . 0.0 109.263 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.443 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.36 3.91 29.03 Favored Glycine 0 CA--C 1.531 1.088 0 O-C-N 124.599 1.187 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.547 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.9 tp -54.89 -177.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.624 0.838 . . . . 0.0 109.26 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.722 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -172.48 -164.78 0.29 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 108.351 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 p -103.9 133.3 49.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.408 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 111.12 -32.98 6.12 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.539 1.149 . . . . 0.0 110.962 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.653 ' O ' HG23 ' A' ' 65' ' ' VAL . 42.5 m-20 -60.9 153.14 25.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.407 0.71 . . . . 0.0 109.313 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.473 ' O ' HG12 ' A' ' 116' ' ' VAL . 1.5 ptt180 -124.8 143.83 50.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 110.261 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.578 HD12 HG12 ' A' ' 116' ' ' VAL . 1.1 mp -82.09 119.35 31.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.348 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.681 HD12 ' HE3' ' A' ' 87' ' ' LYS . 49.9 pt -98.0 -35.59 5.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.517 1.136 . . . . 0.0 109.336 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.681 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.2 mttt -133.24 161.31 34.82 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.391 1.057 . . . . 0.0 109.301 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.549 HG22 HD23 ' A' ' 114' ' ' LEU . 37.9 t -153.83 102.26 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.403 ' C ' ' N ' ' A' ' 91' ' ' GLU . 16.0 m-20 68.06 71.34 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 44.32 25.27 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.115 . . . . 0.0 110.975 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 87' ' ' LYS . 1.1 mm-40 -120.28 128.24 53.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 0.788 . . . . 0.0 110.238 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.44 ' HA ' ' CG ' ' A' ' 87' ' ' LYS . 1.9 m -91.31 30.75 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.972 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.402 HG22 ' O ' ' A' ' 92' ' ' SER . 10.3 m 40.63 32.07 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.401 ' N ' ' C ' ' A' ' 92' ' ' SER . 44.1 mm -57.89 99.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 86.09 -43.81 3.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.46 1.1 . . . . 0.0 111.031 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.933 ' HZ1' HD21 ' A' ' 104' ' ' LEU . 26.2 mttt -40.85 124.15 2.07 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.421 HG22 ' HG3' ' A' ' 100' ' ' GLN . 6.4 t -76.18 171.9 13.74 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.411 1.069 . . . . 0.0 110.441 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.541 ' CE2' HG13 ' A' ' 63' ' ' ILE . 1.7 t80 -52.81 -33.04 47.21 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.583 1.177 . . . . 0.0 111.075 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.17 -36.7 58.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.421 1.076 . . . . 0.0 110.023 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.421 ' HG3' HG22 ' A' ' 97' ' ' THR . 3.5 mt-30 -66.35 -51.0 61.65 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.103 . . . . 0.0 110.349 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.455 ' HA ' HD12 ' A' ' 104' ' ' LEU . 15.0 m -58.08 -33.79 47.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 2.7 mm -63.35 -50.13 80.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -56.52 -38.04 71.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.933 HD21 ' HZ1' ' A' ' 96' ' ' LYS . 88.0 mt -55.8 -31.42 62.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.402 1.064 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.463 HG13 HG11 ' A' ' 88' ' ' VAL . 30.1 mt -80.7 -50.64 16.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.219 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -59.46 -38.15 80.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.571 1.17 . . . . 0.0 110.319 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -97.42 23.85 7.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 37.6 t -81.01 -7.34 59.53 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.6 t0 81.77 -156.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 88.2 m -57.01 -60.66 3.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.429 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.448 ' CG2' ' HD3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -90.34 159.84 16.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.539 1.149 . . . . 0.0 110.36 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.714 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -153.6 127.17 8.7 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.51 1.131 . . . . 0.0 109.315 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.714 ' N ' HD22 ' A' ' 112' ' ' LEU . 23.7 tt0 -110.38 140.74 44.28 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.429 1.081 . . . . 0.0 110.316 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.55 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 12.6 mt -122.32 -176.9 3.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -156.27 131.34 9.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 110.031 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.578 HG12 HD12 ' A' ' 85' ' ' ILE . 22.8 m -131.14 -172.45 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.53 ' HE1' ' HA ' ' A' ' 9' ' ' PRO . 2.5 mmt -139.92 87.95 12.3 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 111.014 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 157.85 42.7 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.496 1.787 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 1.3 mttp -124.86 156.04 38.51 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 1.139 . . . . 0.0 109.217 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -72.96 97.95 2.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.099 . . . . 0.0 109.328 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.32 132.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.06 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -176.31 96.93 0.11 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.416 1.073 . . . . 0.0 110.951 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 130.82 13.64 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.455 1.766 . . . . 0.0 110.93 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -110.67 166.22 11.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.051 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 8.0 t -94.0 101.81 13.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 0.0 110.024 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.074 0 O-C-N 124.49 1.119 . . . . 0.0 110.908 179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.94 101.23 3.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.543 0.79 . . . . 0.0 110.037 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.6 m -97.33 168.79 10.19 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.951 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -135.62 159.39 24.15 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.441 1.088 . . . . 0.0 110.943 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 176.29 179.22 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 0.805 . . . . 0.0 110.046 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -50.15 163.33 0.16 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.541 1.15 . . . . 0.0 109.939 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.34 61.94 0.57 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 45.65 -104.35 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 176.47 9.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.417 1.746 . . . . 0.0 111.026 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 14.8 tptt -88.46 147.77 24.51 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 m -130.41 138.85 50.55 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.612 1.195 . . . . 0.0 110.394 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.74 129.71 11.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.294 -179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.538 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 95.3 m -105.3 151.07 24.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 110.427 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.672 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.5 mp -135.8 152.54 51.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.569 1.168 . . . . 0.0 109.206 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.725 ' HG2' HG22 ' A' ' 111' ' ' THR . 22.1 mttt -127.26 118.0 23.38 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.408 1.067 . . . . 0.0 109.266 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.1 ttt-85 -48.67 113.62 0.81 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.1 p -98.42 54.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.442 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 56.98 40.11 28.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 110.041 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -176.89 -172.72 0.44 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.13 . . . . 0.0 110.322 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -81.93 50.03 4.2 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.491 1.119 . . . . 0.0 111.074 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.579 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 55.3 m-85 55.06 -176.69 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 0.785 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.467 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . -85.62 -71.7 1.3 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.642 ' CE1' HD22 ' A' ' 14' ' ' LEU . 5.1 p90 -46.99 169.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 0.774 . . . . 0.0 110.947 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.8 t -148.89 157.12 43.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.423 1.077 . . . . 0.0 110.397 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.606 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -108.83 160.0 16.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.425 1.078 . . . . 0.0 109.375 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.7 ttt85 -173.29 168.78 4.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.276 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 6.8 m-70 60.85 152.85 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.498 1.124 . . . . 0.0 109.594 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.563 ' CE2' ' HB ' ' A' ' 30' ' ' VAL . 9.7 t80 -167.85 140.44 3.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.777 ' O ' HG12 ' A' ' 30' ' ' VAL . 36.3 mt -68.9 -88.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 109.326 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.777 HG12 ' O ' ' A' ' 29' ' ' ILE . 6.4 p 51.4 175.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.139 . . . . 0.0 109.256 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.65 ' H ' HG22 ' A' ' 30' ' ' VAL . 55.6 m-85 -157.73 93.87 2.12 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.454 1.096 . . . . 0.0 111.044 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 165.53 31.15 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.55 1.816 . . . . 0.0 111.046 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.49 ' HG2' ' HB2' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.92 -65.72 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.521 1.801 . . . . 0.0 111.025 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -143.76 -83.08 0.16 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.456 1.097 . . . . 0.0 110.282 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 24.1 t -126.03 34.39 4.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.024 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.49 ' HB2' ' HG2' ' A' ' 33' ' ' PRO . . . -61.73 -93.45 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.466 1.104 . . . . 0.0 109.346 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 28.3 mt 63.96 77.75 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.374 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -108.08 -26.12 10.79 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.501 1.126 . . . . 0.0 110.288 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 51.65 174.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 0.0 111.094 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 70.42 156.37 0.15 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.596 1.185 . . . . 0.0 110.026 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -164.16 121.07 1.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 110.973 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.17 135.86 2.4 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.358 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -98.97 108.87 21.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.372 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.39 166.81 23.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 110.292 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.14 135.07 17.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -62.15 133.12 54.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.344 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -87.25 -155.73 28.54 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 111.045 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -115.78 133.87 55.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 0.785 . . . . 0.0 109.296 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.07 167.36 30.09 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.542 1.151 . . . . 0.0 110.351 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -143.48 -172.87 14.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.48 1.113 . . . . 0.0 111.024 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 128.98 108.25 1.35 Allowed Glycine 0 CA--C 1.531 1.036 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -67.59 0.41 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.492 0.76 . . . . 0.0 109.274 -179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -128.88 80.74 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 174.5 -50.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 1.094 . . . . 0.0 110.284 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 63.49 84.59 0.14 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.559 1.162 . . . . 0.0 109.252 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.479 ' NE ' ' HA ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -44.08 148.09 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 110.298 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 57' ' ' LEU . 0.0 OUTLIER 65.37 75.36 0.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.326 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 58.1 157.09 0.09 OUTLIER Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 110.253 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.443 ' C ' ' CG ' ' A' ' 60' ' ' MET . 18.6 Cg_endo -74.99 -61.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.362 1.251 0 O-C-N 124.455 1.766 . . . . 0.0 111.065 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.443 ' CG ' ' C ' ' A' ' 59' ' ' PRO . 1.9 ptt? 36.03 83.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.004 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.4 t0 165.08 80.79 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.69 ' CG2' ' CE2' ' A' ' 64' ' ' PHE . 53.9 m -157.85 -95.1 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.575 1.172 . . . . 0.0 110.443 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.468 HD13 HG21 ' A' ' 101' ' ' VAL . 2.4 mp 66.59 116.31 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.69 ' CE2' ' CG2' ' A' ' 62' ' ' THR . 88.2 m-85 -112.93 166.26 11.56 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 111.067 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.414 HG11 ' O ' ' A' ' 80' ' ' CYS . 53.2 t -95.31 116.42 36.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.447 1.092 . . . . 0.0 109.255 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.27 -54.5 7.56 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.46 1.1 . . . . 0.0 109.245 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 74.9 mt-30 -148.79 171.2 16.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.7 t -131.09 110.7 18.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 109.32 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.467 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 3.1 tttp -44.03 127.44 5.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.283 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.38 90.53 5.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.561 1.163 . . . . 0.0 110.314 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 111.98 40.0 1.22 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.43 1.081 . . . . 0.0 110.982 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.34 -156.6 9.6 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -57.59 0.05 OUTLIER 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.52 1.8 . . . . 0.0 111.073 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.509 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -49.5 -60.81 2.51 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.511 1.132 . . . . 0.0 109.341 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -38.75 -34.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 1.086 . . . . 0.0 110.941 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.407 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -78.23 -60.42 2.38 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.465 1.103 . . . . 0.0 110.332 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.22 -32.94 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.407 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.27 4.38 14.03 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.558 1.161 . . . . 0.0 110.926 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.504 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.6 tp -55.21 145.49 21.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 0.762 . . . . 0.0 109.343 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.414 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -131.1 -167.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.103 . . . . 0.0 108.3 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 16.5 p -103.47 133.19 48.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.557 1.161 . . . . 0.0 110.397 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 108.6 -23.75 23.59 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -62.82 160.86 13.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 0.78 . . . . 0.0 109.293 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 3.3 ptt180 -133.43 141.72 47.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.314 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.576 HD12 HG12 ' A' ' 116' ' ' VAL . 1.0 OUTLIER -81.75 120.23 32.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.763 HD12 ' HE3' ' A' ' 87' ' ' LYS . 25.7 pt -102.09 -28.56 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.192 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.763 ' HE3' HD12 ' A' ' 86' ' ' ILE . 11.2 mttt -135.41 158.55 44.1 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.527 1.142 . . . . 0.0 109.327 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 59.7 t -143.82 105.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.511 1.132 . . . . 0.0 109.365 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.452 ' ND2' ' OG ' ' A' ' 108' ' ' SER . 55.3 m-20 57.08 31.23 19.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 55.48 28.7 51.73 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.466 1.104 . . . . 0.0 110.973 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.31 -4.58 58.06 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.385 0.697 . . . . 0.0 110.312 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.9 m 58.59 101.22 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.506 1.129 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.802 ' CG1' HG12 ' A' ' 101' ' ' VAL . 24.5 m -99.21 50.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.573 1.171 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.4 mm -81.48 -61.14 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -97.05 40.51 2.53 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.643 1.214 . . . . 0.0 111.04 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -123.62 161.56 24.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.293 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.48 HG22 ' HG3' ' A' ' 100' ' ' GLN . 1.2 t -110.51 173.87 6.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.376 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.66 ' CE1' HD11 ' A' ' 102' ' ' ILE . 29.0 t80 -50.02 -55.41 14.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.497 1.123 . . . . 0.0 111.055 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -49.18 -48.34 45.18 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 110.017 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.48 ' HG3' HG22 ' A' ' 97' ' ' THR . 0.7 OUTLIER -53.14 -69.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.347 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.802 HG12 ' CG1' ' A' ' 93' ' ' VAL . 35.8 m -51.2 -37.52 17.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 109.338 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.66 HD11 ' CE1' ' A' ' 98' ' ' TYR . 4.8 mm -57.04 -60.31 2.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -54.79 -36.27 64.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.445 1.091 . . . . 0.0 109.35 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.41 ' O ' ' CB ' ' A' ' 108' ' ' SER . 48.3 mt -59.15 -37.62 77.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.393 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -74.55 -42.5 48.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.223 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -69.97 -25.84 63.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.584 1.178 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.467 ' N ' ' O ' ' A' ' 103' ' ' ALA . 30.7 m-80 -117.09 23.51 11.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.576 1.172 . . . . 0.0 109.207 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.732 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.6 OUTLIER -77.38 0.07 23.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.113 . . . . 0.0 109.982 179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.518 ' CB ' ' O ' ' A' ' 108' ' ' SER . 11.5 t70 82.98 178.49 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.404 1.065 . . . . 0.0 109.261 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 14.6 m -37.18 -49.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.106 . . . . 0.0 110.438 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.725 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -99.45 172.48 7.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.418 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.732 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -158.6 108.3 2.01 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.6 ' N ' HD22 ' A' ' 112' ' ' LEU . 35.8 tt0 -89.39 139.36 30.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.672 HD12 ' CD1' ' A' ' 14' ' ' LEU . 14.5 mt -128.94 177.78 6.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.601 1.188 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.3 m -153.02 125.22 8.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.425 1.078 . . . . 0.0 110.002 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.576 HG12 HD12 ' A' ' 85' ' ' ILE . 24.4 m -122.61 179.11 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.607 1.192 . . . . 0.0 109.309 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.487 ' CG ' HD13 ' A' ' 86' ' ' ILE . 1.0 OUTLIER -132.71 94.83 20.81 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 110.964 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.89 -178.97 4.51 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.5 1.789 . . . . 0.0 111.025 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.425 ' HG2' ' N ' ' A' ' 120' ' ' ASP . 40.7 tttt -150.68 -74.49 0.16 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.476 1.11 . . . . 0.0 109.319 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.425 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 12.7 t70 -131.3 99.75 4.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -140.53 155.64 46.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.46 1.1 . . . . 0.0 110.039 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -141.31 114.81 0.95 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 152.33 40.57 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.446 1.761 . . . . 0.0 110.976 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.3 t -178.09 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.479 1.112 . . . . 0.0 110.009 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 56.81 104.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.054 0 O-C-N 124.531 1.144 . . . . 0.0 110.944 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 N-CA-C 110.975 -0.85 . . . . 0.0 110.975 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 66.61 170.56 0.24 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 0.776 . . . . 0.0 110.036 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 175.97 140.42 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.025 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.85 -122.4 0.95 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.466 1.104 . . . . 0.0 111.025 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m 63.26 161.37 0.1 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 0.759 . . . . 0.0 109.957 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m 61.12 153.09 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 1.12 . . . . 0.0 109.951 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.7 115.29 1.48 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.514 1.134 . . . . 0.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.7 -96.66 0.15 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.1 170.91 19.35 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.507 1.793 . . . . 0.0 110.933 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.4 ' HG3' ' N ' ' A' ' 11' ' ' THR . 13.8 tptt -93.13 149.14 21.44 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.424 1.078 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.4 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 11.8 m -135.14 136.27 41.77 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.571 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.24 124.62 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.329 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.641 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 86.1 m -103.75 154.14 19.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.361 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.78 HD11 HD12 ' A' ' 114' ' ' LEU . 4.4 mp -135.95 170.61 15.72 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.702 ' HG2' HG22 ' A' ' 111' ' ' THR . 25.1 mttt -138.47 117.44 12.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.622 1.201 . . . . 0.0 109.27 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.6 ttt180 -43.73 111.94 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.189 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.4 t -126.96 -45.71 1.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.545 1.153 . . . . 0.0 110.385 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.6 176.92 7.77 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.989 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -64.71 134.12 53.54 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.33 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 56.13 26.8 50.46 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.424 1.077 . . . . 0.0 111.033 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.498 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 21.1 m-85 52.48 173.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 0.733 . . . . 0.0 111.039 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . -55.22 -78.65 0.11 Allowed Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.468 1.105 . . . . 0.0 110.984 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.62 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 1.4 p90 -53.61 177.96 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.495 0.762 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.608 ' C ' HD13 ' A' ' 25' ' ' LEU . 7.6 t -157.77 155.64 30.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.537 1.148 . . . . 0.0 110.354 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.608 HD13 ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -113.28 169.75 8.72 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.262 -179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -147.34 117.88 7.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -179.28 63.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.155 . . . . 0.0 109.651 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.57 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 2.9 t80 -96.54 -4.56 41.11 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.409 1.068 . . . . 0.0 111.017 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.75 ' O ' HG12 ' A' ' 30' ' ' VAL . 51.2 mt -45.4 -79.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.75 HG12 ' O ' ' A' ' 29' ' ' ILE . 6.3 p 50.84 177.59 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.486 1.116 . . . . 0.0 109.351 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.673 ' H ' HG22 ' A' ' 30' ' ' VAL . 61.2 m-85 -157.81 82.38 2.95 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.115 . . . . 0.0 110.97 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.531 ' HD3' HG13 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.94 165.0 32.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.463 1.77 . . . . 0.0 111.043 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 -165.77 0.3 Allowed 'Trans proline' 0 C--N 1.359 1.111 0 O-C-N 124.558 1.82 . . . . 0.0 111.04 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.04 -78.7 0.05 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.55 1.156 . . . . 0.0 110.321 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -117.22 -56.57 2.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.37 1.044 . . . . 0.0 109.98 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 61.22 167.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.427 1.08 . . . . 0.0 109.281 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 66.2 mt -113.94 129.76 69.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.47 157.17 24.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.286 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -157.08 -54.82 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.982 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.9 t -54.33 153.77 5.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.968 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 29.6 t80 -173.92 -53.33 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 111.021 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 167.39 18.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.406 1.066 . . . . 0.0 109.267 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -106.31 108.81 20.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.198 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -112.69 147.87 35.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 110.267 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.37 93.59 3.18 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 110.335 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -153.74 161.73 41.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.378 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.99 82.25 0.64 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.524 1.14 . . . . 0.0 111.062 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 12.4 m120 -95.2 -55.61 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.526 0.78 . . . . 0.0 109.258 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 60.98 147.04 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.492 1.12 . . . . 0.0 110.269 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -74.17 170.93 53.02 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.454 1.096 . . . . 0.0 110.941 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -107.76 -150.87 16.24 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 110.932 -0.867 . . . . 0.0 110.932 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -45.44 -47.85 13.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 0.0 109.242 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 54.66 170.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 110.264 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 ttt85 -114.22 -64.33 1.33 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.396 1.06 . . . . 0.0 110.367 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 66.03 121.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -104.88 -160.6 0.77 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 110.346 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 10.9 mp -80.61 75.46 7.5 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 23.5 mt-10 -47.3 159.94 0.39 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 110.319 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 18.5 Cg_endo -75.05 -75.62 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.106 0 O-C-N 124.536 1.809 . . . . 0.0 111.022 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -113.17 -70.92 0.78 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.516 ' O ' ' CB ' ' A' ' 62' ' ' THR . 2.7 t70 64.12 96.15 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.516 ' CB ' ' O ' ' A' ' 61' ' ' ASP . 0.9 OUTLIER 165.21 -27.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 110.454 -179.931 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.532 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.1 mt 66.8 116.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.475 ' CZ ' HG21 ' A' ' 62' ' ' THR . 83.8 m-85 -124.66 146.77 48.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.018 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.71 HG11 ' O ' ' A' ' 80' ' ' CYS . 97.8 t -71.88 133.54 31.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.527 1.142 . . . . 0.0 109.364 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.11 -60.92 1.46 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.556 1.16 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -134.19 166.3 23.09 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.55 1.156 . . . . 0.0 110.385 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 41.9 t -136.32 115.02 15.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.13 148.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 -179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.417 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 4.1 tm-20 -92.46 82.21 4.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.09 . . . . 0.0 110.349 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.57 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 104.48 28.34 5.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.543 1.152 . . . . 0.0 111.064 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -98.26 -155.61 29.53 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' N ' ' A' ' 76' ' ' GLU . 18.8 Cg_endo -74.96 -68.31 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.556 1.819 . . . . 0.0 111.082 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.738 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -46.56 -42.19 15.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.221 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.57 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 69.3 t80 -54.73 -31.66 58.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 111.033 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.448 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -84.07 -52.71 6.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 110.247 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.641 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.1 -30.96 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.602 1.189 . . . . 0.0 109.309 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.448 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 115.74 6.12 17.39 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.47 1.106 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.571 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -58.25 -177.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 0.806 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.71 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -175.46 -165.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 108.299 -179.941 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 70.1 p -103.93 133.68 48.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.582 1.176 . . . . 0.0 110.276 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 106.89 -11.25 41.29 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 110.974 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.648 ' O ' HG23 ' A' ' 65' ' ' VAL . 50.3 m-20 -81.25 137.23 35.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 0.763 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 9.3 ptt180 -104.25 144.92 30.96 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.384 1.053 . . . . 0.0 110.262 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.598 HD13 HG12 ' A' ' 116' ' ' VAL . 27.1 mm -84.94 134.51 26.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.674 HD13 ' HG2' ' A' ' 117' ' ' MET . 36.2 pt -116.55 -38.63 2.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.611 ' HE3' HD12 ' A' ' 86' ' ' ILE . 3.0 mttt -133.92 161.27 35.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.752 HG22 HD23 ' A' ' 114' ' ' LEU . 41.6 t -153.4 124.36 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.533 1.145 . . . . 0.0 109.34 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 82.1 m-20 51.16 36.2 15.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.227 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.29 12.99 52.97 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.495 1.122 . . . . 0.0 111.111 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.734 ' OE1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -94.59 124.51 38.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 110.286 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -69.83 108.91 4.16 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 1.145 . . . . 0.0 109.983 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.945 HG11 HG12 ' A' ' 101' ' ' VAL . 27.5 m -112.15 23.44 4.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 109.214 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.637 ' H ' HD12 ' A' ' 94' ' ' ILE . 5.2 mp -64.04 -32.41 57.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.367 1.042 . . . . 0.0 109.278 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -119.82 27.04 6.97 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.642 ' HD2' HG12 ' A' ' 93' ' ' VAL . 54.3 mttp -104.77 177.19 4.92 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.454 0.737 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.555 HG22 ' HG3' ' A' ' 100' ' ' GLN . 13.0 t -112.18 -172.34 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.389 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 36.8 t80 -72.42 -57.37 4.24 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.088 . . . . 0.0 111.051 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.6 t -51.65 -22.22 3.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.593 1.183 . . . . 0.0 110.004 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.555 ' HG3' HG22 ' A' ' 97' ' ' THR . 62.7 mt-30 -77.55 -70.73 0.46 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.945 HG12 HG11 ' A' ' 93' ' ' VAL . 24.2 m -49.23 -27.55 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.367 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 6.3 mm -62.43 -52.49 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.274 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.47 -33.83 64.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 109.313 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.734 HD22 ' OE1' ' A' ' 91' ' ' GLU . 55.2 mt -63.62 -41.69 98.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 1.167 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.0 mt -71.81 -23.71 22.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.287 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.7 mt-30 -91.33 -19.17 23.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 110.263 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.456 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.8 m-20 -105.77 20.16 19.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.492 ' CB ' ' O ' ' A' ' 111' ' ' THR . 0.7 OUTLIER -73.05 -5.74 40.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 110.003 179.911 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 110' ' ' THR . 14.1 t0 62.46 -100.24 0.09 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.475 1.11 . . . . 0.0 109.258 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 17.0 m -92.97 -63.77 1.18 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.41 1.069 . . . . 0.0 110.354 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.702 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -98.83 176.08 5.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.434 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.498 ' HB2' ' CZ ' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -149.91 106.24 3.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.373 1.046 . . . . 0.0 109.318 179.927 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.459 ' N ' HD22 ' A' ' 112' ' ' LEU . 22.9 tt0 -82.39 140.71 33.32 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.506 1.129 . . . . 0.0 110.265 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.78 HD12 HD11 ' A' ' 14' ' ' LEU . 69.8 mt -130.53 -178.92 4.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.4 m -164.13 131.79 3.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.419 1.074 . . . . 0.0 109.993 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.598 HG12 HD13 ' A' ' 85' ' ' ILE . 23.3 m -129.61 -170.57 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.142 . . . . 0.0 109.428 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.674 ' HG2' HD13 ' A' ' 86' ' ' ILE . 2.1 mmt -136.79 95.47 12.35 Favored Pre-proline 0 C--N 1.323 -0.546 0 O-C-N 124.517 1.136 . . . . 0.0 111.027 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.11 158.91 41.52 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.382 1.727 . . . . 0.0 110.984 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.34 179.85 4.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.511 1.132 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -63.89 -52.21 60.98 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.231 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 40.7 t 61.38 155.37 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 109.959 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -62.18 111.14 3.72 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.509 1.13 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 126.43 9.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.443 1.759 . . . . 0.0 111.032 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 44.1 p -168.28 99.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 110.038 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -48.29 -60.27 2.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 111.011 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -109.96 107.85 17.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 0.78 . . . . 0.0 109.946 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 t -64.82 -60.06 3.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.553 1.158 . . . . 0.0 109.949 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.76 -77.63 0.31 Allowed Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.8 -60.27 3.59 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 110.084 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.51 111.9 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.513 1.133 . . . . 0.0 110.021 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.57 132.89 2.4 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.448 1.093 . . . . 0.0 111.052 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 143.54 -139.46 8.85 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 151.7 39.86 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.436 1.756 . . . . 0.0 110.948 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 19.7 tptt -88.35 147.2 24.87 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.429 1.081 . . . . 0.0 109.261 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 23.7 m -133.86 138.25 45.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.461 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.667 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -140.04 134.95 37.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.348 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 7.3 m -108.49 149.86 28.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.304 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.525 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.2 mp -137.75 143.44 41.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.467 1.104 . . . . 0.0 109.361 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.8 mttp -117.9 115.38 24.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 109.294 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.4 ttt-85 -44.14 111.72 0.33 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.557 1.161 . . . . 0.0 110.286 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 p -77.16 -69.34 0.53 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.561 1.163 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -135.97 -81.7 0.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.363 1.039 . . . . 0.0 110.013 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.08 114.96 11.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 78.38 104.0 0.2 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.535 1.147 . . . . 0.0 111.013 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.502 ' CZ ' ' CB ' ' A' ' 112' ' ' LEU . 78.4 m-85 -43.37 150.63 0.2 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 0.78 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.17 -84.72 0.01 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.592 1.182 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.737 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.0 p90 -49.22 174.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 0.778 . . . . 0.0 110.933 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.675 HG23 ' HB3' ' A' ' 66' ' ' LYS . 2.7 t -157.91 164.92 36.41 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.409 1.068 . . . . 0.0 110.463 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.482 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.2 mm? -110.35 177.27 4.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 109.36 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.402 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 0.6 OUTLIER -149.37 162.74 39.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.583 1.177 . . . . 0.0 110.263 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' CB ' ' O ' ' A' ' 26' ' ' ARG . 17.1 m-70 80.61 91.64 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.564 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.922 ' O ' HD13 ' A' ' 29' ' ' ILE . 18.3 p90 -78.24 139.99 38.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 111.039 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.922 HD13 ' O ' ' A' ' 28' ' ' PHE . 2.0 mm -136.31 123.23 32.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.851 HG12 ' HD3' ' A' ' 32' ' ' PRO . 4.2 t -102.46 -127.47 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.405 1.066 . . . . 0.0 109.274 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.578 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 0.1 OUTLIER 51.17 54.84 15.69 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 -179.913 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.851 ' HD3' HG12 ' A' ' 30' ' ' VAL . 18.2 Cg_endo -75.07 161.79 38.01 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.542 1.812 . . . . 0.0 111.018 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 -166.6 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.495 1.787 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 35' ' ' SER . 0.3 OUTLIER -66.53 -171.16 0.11 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.404 ' C ' ' O ' ' A' ' 34' ' ' GLU . 6.1 t -39.3 -42.77 1.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 0.0 110.018 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 42.3 -101.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 109.384 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 96.4 mt -40.15 158.16 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.127 . . . . 0.0 109.331 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 10.9 pt20 -158.97 149.89 20.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.347 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.5 ' CG ' ' O ' ' A' ' 39' ' ' PHE . 8.6 p90 -45.2 125.37 5.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.19 142.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 110.047 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -126.22 -56.36 1.43 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 110.991 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.11 133.88 55.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -119.57 -55.13 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 109.412 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 57.03 163.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 110.33 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 64.9 155.1 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -69.54 159.88 32.52 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.222 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 147.23 140.46 3.4 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.527 1.142 . . . . 0.0 111.005 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 177.64 116.59 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 0.737 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.21 159.95 2.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 110.292 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 165.13 168.97 28.11 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -176.55 140.72 5.14 Favored Glycine 0 CA--C 1.531 1.054 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.06 167.4 4.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.534 0.785 . . . . 0.0 109.379 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.75 155.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -138.52 149.75 45.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.144 . . . . 0.0 110.278 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -67.18 -42.84 83.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.441 1.088 . . . . 0.0 109.355 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 13.7 ttp180 61.69 129.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.363 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 70.77 81.66 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.321 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -97.37 157.38 34.93 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.547 1.154 . . . . 0.0 110.317 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.513 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -75.17 0.66 8.71 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.465 1.771 . . . . 0.0 110.938 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.422 ' C ' ' O ' ' A' ' 59' ' ' PRO . 8.2 mtm -35.73 143.17 0.06 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.531 1.144 . . . . 0.0 110.943 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -153.44 40.02 0.51 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.543 HG21 ' CG ' ' A' ' 84' ' ' ARG . 1.8 m 70.9 159.49 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.162 . . . . 0.0 110.385 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.617 HD11 HG21 ' A' ' 101' ' ' VAL . 1.1 mp -82.78 -55.15 7.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.554 1.159 . . . . 0.0 109.362 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.564 ' CD1' ' HG3' ' A' ' 84' ' ' ARG . 3.0 m-85 58.98 123.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.959 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 80' ' ' CYS . 54.8 t -63.66 139.32 21.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.451 1.094 . . . . 0.0 109.32 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.675 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.5 OUTLIER -86.78 -63.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -146.93 170.7 16.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.248 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 42.7 t -131.54 123.73 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.272 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -70.35 113.15 7.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.38 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 93.91 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.323 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 109.69 32.71 2.83 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.488 1.118 . . . . 0.0 111.034 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -116.42 -158.44 11.38 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -62.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.522 1.801 . . . . 0.0 110.91 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.494 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -46.39 -55.02 7.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.402 1.064 . . . . 0.0 109.215 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 27.1 t80 -41.97 -47.66 4.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 110.946 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.2 mm-40 -66.07 -54.87 20.41 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.474 1.109 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.488 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -40.98 -30.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.347 1.029 . . . . 0.0 109.326 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 105.95 18.65 11.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.458 1.099 . . . . 0.0 110.955 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.667 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.5 tp -67.4 166.49 14.44 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.506 0.768 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.429 ' O ' HG11 ' A' ' 65' ' ' VAL . 1.0 OUTLIER -145.96 -170.5 3.49 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.419 1.074 . . . . 0.0 108.302 179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 p -103.84 135.61 45.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.398 1.061 . . . . 0.0 110.465 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.09 4.26 64.89 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.489 1.118 . . . . 0.0 111.046 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -73.73 137.05 43.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.795 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.564 ' HG3' ' CD1' ' A' ' 64' ' ' PHE . 0.6 OUTLIER -94.84 132.48 39.59 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 110.364 179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.506 HD13 HG12 ' A' ' 116' ' ' VAL . 33.2 mm -82.97 122.89 38.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 109.26 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.822 ' O ' HG22 ' A' ' 93' ' ' VAL . 26.8 pt -109.51 -47.69 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.625 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.7 mttt -132.44 167.05 20.64 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.555 1.159 . . . . 0.0 109.293 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.583 HG12 ' N ' ' A' ' 89' ' ' ASN . 46.9 t -114.25 -115.54 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.583 ' N ' HG12 ' A' ' 88' ' ' VAL . 3.2 p30 -104.61 58.45 0.7 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.517 1.135 . . . . 0.0 109.391 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.95 38.2 49.0 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.405 1.065 . . . . 0.0 111.008 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' HG3' HD22 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -115.42 -35.02 4.74 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 0.759 . . . . 0.0 110.315 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 70.12 128.16 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 109.972 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.822 HG22 ' O ' ' A' ' 86' ' ' ILE . 1.3 m -100.52 30.15 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.401 1.063 . . . . 0.0 109.289 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 17.5 mt -67.85 94.07 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.575 1.172 . . . . 0.0 109.377 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.8 -29.58 12.14 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.438 1.086 . . . . 0.0 110.999 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -61.51 150.02 37.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 0.745 . . . . 0.0 109.275 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.429 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 3.0 t -108.06 177.47 4.8 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.548 1.155 . . . . 0.0 110.419 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.767 ' CE1' HD11 ' A' ' 102' ' ' ILE . 46.2 t80 -46.79 -65.22 0.59 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.892 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -41.32 -48.41 3.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 109.942 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 7.2 mt-30 -57.27 -71.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.576 1.173 . . . . 0.0 110.313 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.617 HG21 HD11 ' A' ' 63' ' ' ILE . 34.4 m -46.56 -44.48 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.428 1.08 . . . . 0.0 109.233 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.767 HD11 ' CE1' ' A' ' 98' ' ' TYR . 11.1 mm -44.53 -51.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.35 -44.58 92.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.268 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.414 HD22 ' HG3' ' A' ' 91' ' ' GLU . 90.6 mt -53.53 -24.63 13.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 28.4 mt -86.73 -48.93 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.466 1.104 . . . . 0.0 109.343 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -59.92 -33.31 71.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -97.98 12.87 32.81 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.432 1.082 . . . . 0.0 109.274 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.498 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 94.5 p -59.35 -22.61 61.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.971 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.498 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.0 t70 81.41 -151.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 19.4 m -55.22 -49.69 71.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.473 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -102.06 173.99 6.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 110.374 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.565 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.8 OUTLIER -159.22 112.52 2.28 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.43 1.081 . . . . 0.0 109.281 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.565 ' N ' HD22 ' A' ' 112' ' ' LEU . 54.9 tt0 -97.8 150.61 21.07 Favored 'General case' 0 C--N 1.323 -0.57 0 O-C-N 124.556 1.16 . . . . 0.0 110.295 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.737 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 13.5 mt -138.22 174.72 10.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -153.7 131.84 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.36 1.038 . . . . 0.0 110.029 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.506 HG12 HD13 ' A' ' 85' ' ' ILE . 15.7 m -129.42 -170.26 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.637 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.8 OUTLIER -135.8 96.53 13.18 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 110.957 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.78 13.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.577 1.83 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.24 -178.46 3.38 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.236 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -64.75 -56.66 12.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 72.1 m 60.89 106.16 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.107 . . . . 0.0 110.03 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -49.79 139.48 17.6 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.512 1.132 . . . . 0.0 111.043 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 67.18 5.97 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.613 1.849 . . . . 0.0 111.072 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 79.9 p -145.78 95.45 2.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 110.023 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.01 120.31 6.35 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.142 . . . . 0.0 109.959 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.473 1.108 . . . . 0.0 110.975 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.9 m 58.04 107.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 0.778 . . . . 0.0 110.052 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -168.51 143.22 3.35 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 109.984 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.73 176.8 14.57 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.609 1.193 . . . . 0.0 110.995 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 t -160.2 100.8 1.38 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 0.764 . . . . 0.0 110.019 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 52.2 88.49 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.572 1.17 . . . . 0.0 109.979 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 143.97 146.48 4.53 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.609 1.193 . . . . 0.0 111.02 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 100.33 -121.69 7.32 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 153.85 42.21 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.511 1.795 . . . . 0.0 111.025 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.8 tptt -104.67 142.03 35.4 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 1.145 . . . . 0.0 109.346 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 96.3 m -128.6 138.15 52.06 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.464 1.102 . . . . 0.0 110.432 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.536 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.18 128.73 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.328 179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -98.95 152.56 19.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 110.341 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.712 ' CD1' HD12 ' A' ' 114' ' ' LEU . 4.9 mp -140.2 121.13 14.56 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.755 ' HG3' HG22 ' A' ' 111' ' ' THR . 4.7 mptt -100.13 115.5 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.1 ttt-85 -41.35 110.34 0.16 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.596 1.185 . . . . 0.0 110.334 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 13.6 t -141.6 13.3 2.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.367 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.39 -152.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.074 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -91.65 133.87 35.19 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 46.55 42.29 13.76 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.944 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.569 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 76.5 m-85 38.27 40.82 0.37 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.486 0.756 . . . . 0.0 111.016 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 82.05 -84.08 1.51 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.435 1.085 . . . . 0.0 110.969 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -51.14 176.45 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 0.753 . . . . 0.0 111.072 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.645 ' O ' HD13 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -158.18 168.36 27.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.645 HD13 ' O ' ' A' ' 24' ' ' THR . 0.5 OUTLIER -119.51 166.15 13.48 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.596 1.185 . . . . 0.0 109.325 179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -173.34 173.51 3.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 14.1 m-70 72.9 92.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.556 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.531 ' CE2' ' CE2' ' A' ' 98' ' ' TYR . 26.0 p90 -166.78 140.44 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.409 ' HB ' ' CG ' ' A' ' 59' ' ' PRO . 77.3 mt -102.66 -43.63 9.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.52 HG12 ' H ' ' A' ' 31' ' ' TYR . 16.7 t 54.45 170.74 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.617 1.198 . . . . 0.0 109.292 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.52 ' H ' HG12 ' A' ' 30' ' ' VAL . 7.1 m-85 -135.49 61.64 44.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 110.995 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.449 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -74.94 167.15 27.71 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.585 1.834 . . . . 0.0 111.007 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 147.71 34.46 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.611 1.848 . . . . 0.0 111.07 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -83.65 149.77 26.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 110.338 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.4 t 49.07 33.7 5.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.976 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -123.5 105.73 10.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.592 1.183 . . . . 0.0 109.231 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 48.5 mt -58.68 148.42 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.289 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -43.02 143.05 0.81 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -166.06 139.28 4.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.951 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -158.7 178.93 9.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.001 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.57 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -85.22 44.46 1.09 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.69 128.89 40.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.387 1.054 . . . . 0.0 109.28 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 71.42 159.04 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -40.86 108.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.31 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -178.55 156.99 0.95 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.582 1.176 . . . . 0.0 110.28 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -99.12 162.3 13.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.352 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 175.72 103.63 0.17 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.48 1.112 . . . . 0.0 111.055 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -158.15 -176.14 5.75 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.507 0.769 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? 59.07 -87.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 110.335 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 71.34 -128.69 16.27 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.446 1.091 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.55 111.85 0.26 Allowed Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -141.84 93.24 2.53 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 0.794 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -91.64 -176.55 4.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.276 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 60.82 176.0 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.255 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 8.4 m120 -66.54 163.19 19.2 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.58 1.175 . . . . 0.0 109.298 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -163.68 68.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.327 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 57' ' ' LEU . 4.6 mm? -102.37 19.61 18.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.475 1.11 . . . . 0.0 109.351 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.46 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 22.8 mt-10 64.6 160.5 0.12 Allowed Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.568 1.167 . . . . 0.0 110.273 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.46 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 18.3 Cg_endo -75.03 -90.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.485 1.782 . . . . 0.0 110.99 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.418 ' O ' ' CB ' ' A' ' 61' ' ' ASP . 25.4 ptm -159.33 175.69 13.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.506 1.129 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.418 ' CB ' ' O ' ' A' ' 60' ' ' MET . 0.8 OUTLIER 76.03 154.66 0.15 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 -179.905 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.469 ' HB ' ' CE1' ' A' ' 64' ' ' PHE . 19.8 m -131.18 166.58 20.82 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 110.429 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.527 HG22 HG12 ' A' ' 85' ' ' ILE . 2.6 mp -60.12 84.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.361 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.5 m-30 -101.19 137.41 39.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 111.026 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.859 HG21 ' OD2' ' A' ' 83' ' ' ASP . 5.4 t -56.35 147.74 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.413 ' O ' ' CG ' ' A' ' 67' ' ' GLN . 0.1 OUTLIER -113.67 -35.53 5.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.43 1.082 . . . . 0.0 109.382 179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.413 ' CG ' ' O ' ' A' ' 66' ' ' LYS . 12.0 mt-30 -163.53 164.98 24.11 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.62 1.2 . . . . 0.0 110.217 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.88 123.88 42.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.468 1.105 . . . . 0.0 109.265 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -64.62 121.62 14.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.26 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -70.38 94.76 0.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.592 1.183 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.37 25.9 4.49 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.485 1.116 . . . . 0.0 110.925 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -106.25 -166.41 22.96 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -56.53 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.426 1.751 . . . . 0.0 110.997 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.685 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.15 -46.37 53.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.8 t80 -53.79 -45.88 70.87 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.479 1.112 . . . . 0.0 111.073 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.403 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.3 mm-40 -72.54 -49.41 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.589 1.18 . . . . 0.0 110.232 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -47.29 -25.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 109.356 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.403 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.42 6.85 26.93 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.525 1.141 . . . . 0.0 110.997 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.536 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.5 tp -68.06 147.76 51.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.427 ' O ' HG11 ' A' ' 65' ' ' VAL . 18.6 p -142.91 -159.94 1.04 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.425 1.078 . . . . 0.0 108.262 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 60.4 p -103.72 130.38 51.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 113.03 -30.08 7.62 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.546 1.153 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.859 ' OD2' HG21 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -59.38 128.96 39.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.543 0.79 . . . . 0.0 109.347 179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.5 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 1.3 ptt-85 -94.49 152.87 18.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.548 1.155 . . . . 0.0 110.281 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.527 HG12 HG22 ' A' ' 63' ' ' ILE . 19.1 mm -91.52 127.05 44.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.367 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.858 HD12 ' HE2' ' A' ' 87' ' ' LYS . 2.7 pt -114.38 -37.21 2.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.403 1.064 . . . . 0.0 109.265 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.858 ' HE2' HD12 ' A' ' 86' ' ' ILE . 0.2 OUTLIER -144.47 165.96 26.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 0.0 109.221 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.573 HG12 ' N ' ' A' ' 89' ' ' ASN . 23.3 t -124.26 -122.2 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.573 ' N ' HG12 ' A' ' 88' ' ' VAL . 73.4 m-20 -80.96 71.74 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 109.327 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.22 26.41 67.68 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.543 1.152 . . . . 0.0 111.046 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.671 ' OE1' HD22 ' A' ' 104' ' ' LEU . 0.0 OUTLIER -104.91 -176.88 3.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.423 0.719 . . . . 0.0 110.3 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.7 m -134.91 107.73 7.51 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.917 HG11 HG12 ' A' ' 101' ' ' VAL . 10.8 m -110.47 47.07 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.481 1.113 . . . . 0.0 109.367 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 41.9 mt -64.79 -61.0 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.382 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.45 20.37 23.12 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 111.036 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.579 ' HD2' HG12 ' A' ' 93' ' ' VAL . 44.5 mttm -74.68 162.7 28.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.544 0.791 . . . . 0.0 109.339 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.415 HG23 ' H ' ' A' ' 100' ' ' GLN . 1.4 t -99.98 161.43 13.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 1.142 . . . . 0.0 110.393 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.559 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 33.7 t80 -50.88 -52.49 41.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.419 1.075 . . . . 0.0 110.992 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.4 t -49.39 -43.82 44.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.066 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.415 ' H ' HG23 ' A' ' 97' ' ' THR . 7.3 mt-30 -59.74 -69.25 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.291 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.917 HG12 HG11 ' A' ' 93' ' ' VAL . 18.2 m -48.11 -42.23 10.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.579 1.174 . . . . 0.0 109.38 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.559 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 8.3 mm -51.22 -52.33 19.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -59.66 -43.87 93.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.549 1.155 . . . . 0.0 109.213 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.671 HD22 ' OE1' ' A' ' 91' ' ' GLU . 56.6 mt -52.04 -24.69 7.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.464 1.103 . . . . 0.0 109.223 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.5 mt -89.26 -49.21 14.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.355 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -60.53 -32.99 72.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.49 1.119 . . . . 0.0 110.329 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.25 16.24 24.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.397 1.061 . . . . 0.0 109.355 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.49 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 95.1 p -63.92 -22.33 66.87 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.523 1.139 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 4.2 t0 81.11 -154.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.417 1.073 . . . . 0.0 109.271 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 93.1 m -53.65 -51.76 62.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.443 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.755 HG22 ' HG3' ' A' ' 15' ' ' LYS . 0.1 OUTLIER -102.28 159.71 15.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.556 1.16 . . . . 0.0 110.421 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -144.22 111.59 5.97 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.592 1.182 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.66 ' N ' HD22 ' A' ' 112' ' ' LEU . 14.6 tt0 -95.21 148.85 21.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.712 HD12 ' CD1' ' A' ' 14' ' ' LEU . 23.4 mt -138.39 168.89 18.8 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.7 t -147.56 130.21 15.97 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.445 1.091 . . . . 0.0 110.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.523 HG11 ' OD1' ' A' ' 83' ' ' ASP . 13.6 m -127.14 -178.4 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.25 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.623 ' SD ' HD13 ' A' ' 86' ' ' ILE . 57.5 mmm -128.64 102.87 19.74 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 110.968 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.08 158.06 42.09 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.501 1.79 . . . . 0.0 111.027 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.13 174.62 10.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.591 1.182 . . . . 0.0 109.335 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.8 t70 71.06 -62.86 0.44 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 168.59 79.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.55 1.156 . . . . 0.0 109.978 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 59.93 169.49 0.4 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 80.32 2.46 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.504 1.792 . . . . 0.0 111.041 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 32.9 m -166.16 167.12 16.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.064 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 126' ' ' GLY . 10.9 t 173.96 -53.42 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.107 . . . . 0.0 109.951 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.402 ' C ' ' O ' ' A' ' 125' ' ' SER . . . . . . . . 0 CA--C 1.529 0.962 0 O-C-N 124.463 1.102 . . . . 0.0 110.962 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 110.985 -0.846 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -61.63 -58.77 6.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 0.805 . . . . 0.0 110.031 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -122.12 86.11 2.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.944 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -44.24 -75.28 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.505 1.128 . . . . 0.0 111.012 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.55 -58.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 0.773 . . . . 0.0 109.943 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.2 t -132.16 127.06 35.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.15 -107.65 0.5 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.457 1.098 . . . . 0.0 110.966 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 171.52 -172.93 44.82 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 165.12 31.97 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.74 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -113.33 123.11 49.35 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 109.213 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.3 m -117.47 155.45 29.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.35 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.834 HG23 ' HB2' ' A' ' 114' ' ' LEU . 1.7 m -141.66 142.53 28.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.411 1.07 . . . . 0.0 109.326 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.7 m -117.22 144.73 44.47 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 0.0 110.39 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.802 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.7 mp -127.68 142.94 51.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.677 ' HA ' HG22 ' A' ' 111' ' ' THR . 15.1 mmtt -105.92 114.82 29.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 109.286 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -40.98 112.41 0.29 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 18' ' ' SER . 0.0 OUTLIER -112.34 79.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.567 1.167 . . . . 0.0 110.434 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 17' ' ' THR . 3.7 m 77.97 -67.94 0.17 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.414 1.071 . . . . 0.0 110.074 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -145.89 150.52 36.26 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 110.315 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 21' ' ' PHE . . . 38.17 -124.32 1.4 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.456 1.098 . . . . 0.0 111.03 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.564 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 94.8 m-85 -164.26 -171.62 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.519 0.776 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' O ' ' HA ' ' A' ' 68' ' ' VAL . . . -90.48 57.05 3.49 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.527 1.142 . . . . 0.0 110.991 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.486 ' CE1' ' HB2' ' A' ' 21' ' ' PHE . 8.8 p90 -179.02 164.92 1.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 111.028 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.656 HG23 ' HB3' ' A' ' 66' ' ' LYS . 12.4 t -154.82 161.23 41.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.434 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.565 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.8 OUTLIER -111.18 175.51 5.39 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.14 139.85 52.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.424 1.078 . . . . 0.0 110.29 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -176.48 82.92 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 109.553 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.615 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.6 OUTLIER -110.11 -24.83 10.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.751 ' O ' HG12 ' A' ' 30' ' ' VAL . 64.8 mt -37.29 -56.24 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 0.0 109.337 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.751 HG12 ' O ' ' A' ' 29' ' ' ILE . 6.3 p 50.93 177.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 124.46 1.1 . . . . 0.0 109.356 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.677 ' H ' HG22 ' A' ' 30' ' ' VAL . 0.2 OUTLIER 176.35 75.01 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.445 1.091 . . . . 0.0 111.011 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 154.38 42.24 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.558 1.82 . . . . 0.0 111.002 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.483 ' HG2' ' HB2' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -74.97 -78.42 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.515 1.798 . . . . 0.0 111.05 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -131.4 -72.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 110.262 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 8.7 t -135.66 37.08 2.88 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.614 1.196 . . . . 0.0 110.017 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.483 ' HB2' ' HG2' ' A' ' 33' ' ' PRO . . . -51.53 -43.93 62.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.637 HG22 ' N ' ' A' ' 38' ' ' GLN . 65.8 mt 52.91 -108.06 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.329 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.637 ' N ' HG22 ' A' ' 37' ' ' ILE . 0.5 OUTLIER 69.49 109.6 0.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 110.307 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -112.37 92.33 3.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.418 1.074 . . . . 0.0 111.089 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 67.25 86.42 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.974 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -80.3 162.12 24.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 111.074 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -78.55 138.23 38.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.446 1.091 . . . . 0.0 109.305 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' C ' ' OE1' ' A' ' 44' ' ' GLU . 19.8 p-10 -178.49 93.5 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.607 1.192 . . . . 0.0 109.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' OE1' ' C ' ' A' ' 43' ' ' ASP . 1.7 mp0 -142.39 124.85 15.68 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.529 1.143 . . . . 0.0 110.339 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 40.66 91.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -138.74 154.32 48.53 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.558 1.161 . . . . 0.0 109.332 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.54 -103.86 0.02 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.621 1.2 . . . . 0.0 111.018 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -146.21 122.87 11.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 0.744 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.55 172.79 7.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.288 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 167.48 166.58 26.81 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 110.974 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -131.48 -162.19 10.44 Favored Glycine 0 CA--C 1.531 1.033 0 N-CA-C 111.041 -0.823 . . . . 0.0 111.041 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.72 125.9 26.29 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 0.8 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -176.6 131.74 0.2 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.567 1.167 . . . . 0.0 110.267 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -143.25 124.89 14.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.296 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 174.9 -67.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 9.9 tpt180 -80.88 142.71 33.33 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.54 1.15 . . . . 0.0 110.259 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -101.52 -172.0 2.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.117 . . . . 0.0 109.315 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' HB3' ' HD2' ' A' ' 59' ' ' PRO . 29.2 mt-10 -128.77 160.11 64.76 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.549 1.155 . . . . 0.0 110.294 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.431 ' HD2' ' HB3' ' A' ' 58' ' ' GLU . 18.3 Cg_endo -74.98 -72.32 0.01 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.542 1.811 . . . . 0.0 111.026 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 3.9 mtm -153.24 138.09 17.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.438 1.086 . . . . 0.0 111.055 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.14 85.98 2.33 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.446 1.091 . . . . 0.0 109.35 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.98 HG21 ' CZ ' ' A' ' 64' ' ' PHE . 3.4 m -143.61 158.44 43.66 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.513 1.133 . . . . 0.0 110.486 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.535 HG21 HG13 ' A' ' 85' ' ' ILE . 7.8 mm -96.33 -65.39 1.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.417 1.073 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.98 ' CZ ' HG21 ' A' ' 62' ' ' THR . 21.2 m-85 54.69 107.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.73 HG11 ' O ' ' A' ' 80' ' ' CYS . 87.2 t -51.87 156.93 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.406 1.066 . . . . 0.0 109.311 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.656 ' HB3' HG23 ' A' ' 24' ' ' THR . 4.0 tptm -112.94 -56.43 2.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 109.352 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.533 ' CG ' HG22 ' A' ' 24' ' ' THR . 1.0 OUTLIER -136.28 170.08 16.61 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.297 179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 67' ' ' GLN . 8.3 t -153.83 117.17 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 0.0 109.312 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.421 ' HD3' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -56.35 123.37 14.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.421 ' N ' ' HD3' ' A' ' 69' ' ' LYS . 0.9 OUTLIER -71.2 83.38 0.74 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.443 1.089 . . . . 0.0 110.277 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.569 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 122.87 4.44 8.66 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.556 1.16 . . . . 0.0 110.997 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -81.32 -163.05 30.16 Favored Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.86 -53.24 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.457 1.767 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.802 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -53.13 -53.89 43.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.569 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 3.0 t80 -48.13 -53.58 16.21 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.431 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 4.2 mm-40 -59.5 -52.98 63.25 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.422 1.076 . . . . 0.0 110.261 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.445 ' HB1' ' HB ' ' A' ' 12' ' ' VAL . . . -42.1 -28.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.13 22.85 6.34 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.505 1.128 . . . . 0.0 110.996 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.756 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.1 tp -82.58 -170.67 3.08 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 0.747 . . . . 0.0 109.374 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.73 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER 178.15 -165.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.395 1.06 . . . . 0.0 108.305 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.427 ' CG2' ' HA ' ' A' ' 67' ' ' GLN . 4.7 p -103.16 130.68 50.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 110.419 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.19 -32.15 7.09 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.472 1.107 . . . . 0.0 111.017 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.478 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.8 OUTLIER -52.04 131.21 31.49 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 0.756 . . . . 0.0 109.332 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.567 ' HD2' HG23 ' A' ' 62' ' ' THR . 3.8 ttt180 -93.77 133.91 36.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.489 1.118 . . . . 0.0 110.226 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.594 HD13 HG12 ' A' ' 116' ' ' VAL . 18.8 mm -82.62 137.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.669 HD12 ' HE3' ' A' ' 87' ' ' LYS . 50.4 pt -114.02 -34.81 2.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.569 1.168 . . . . 0.0 109.291 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.669 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.7 OUTLIER -136.35 162.96 31.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.523 1.139 . . . . 0.0 109.332 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 75.4 t -150.8 118.97 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.365 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' A' ' 104' ' ' LEU . 45.2 m-20 46.33 55.91 6.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.585 1.178 . . . . 0.0 109.331 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 51.41 21.94 6.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.486 1.116 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -123.16 82.27 1.98 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.545 0.791 . . . . 0.0 110.289 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 13.0 p -40.17 131.93 1.99 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.473 1.108 . . . . 0.0 109.979 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.618 HG12 HG11 ' A' ' 101' ' ' VAL . 2.8 m -64.42 -31.9 55.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.412 1.07 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.6 mp -46.3 111.01 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.59 14.72 26.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.531 1.145 . . . . 0.0 111.036 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.9 mttm -122.01 163.93 18.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 0.756 . . . . 0.0 109.361 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.703 HG23 ' O ' ' A' ' 97' ' ' THR . 7.0 t -113.45 51.67 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.421 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.613 ' O ' HG22 ' A' ' 101' ' ' VAL . 35.7 t80 58.01 -75.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 111.041 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.565 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.3 OUTLIER -37.94 -30.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.585 1.178 . . . . 0.0 110.019 179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 0.1 OUTLIER -64.68 -63.14 1.2 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.444 1.09 . . . . 0.0 110.22 -179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.618 HG11 HG12 ' A' ' 93' ' ' VAL . 35.3 m -55.69 -31.84 30.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.326 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 13.9 mm -54.53 -46.19 71.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -60.6 -39.21 87.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.155 . . . . 0.0 109.328 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.43 ' O ' ' ND2' ' A' ' 89' ' ' ASN . 80.4 mt -59.14 -36.55 75.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.307 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.445 HG12 HD11 ' A' ' 112' ' ' LEU . 7.7 mt -73.04 -36.82 51.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 1.116 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -75.38 -31.47 60.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 110.221 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 103' ' ' ALA . 37.2 m-20 -93.43 21.25 6.33 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 77.9 p -52.31 -20.22 2.58 Favored 'General case' 0 C--N 1.327 -0.376 0 O-C-N 124.373 1.046 . . . . 0.0 110.008 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' CG ' ' N ' ' A' ' 110' ' ' THR . 3.7 t70 60.34 -91.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.552 1.158 . . . . 0.0 109.242 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 109' ' ' ASP . 55.0 m -91.57 -61.64 1.6 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.448 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.677 HG22 ' HA ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -126.24 168.03 14.65 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 110.445 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.629 HD13 ' HG ' ' A' ' 114' ' ' LEU . 0.8 OUTLIER -126.79 107.82 10.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.52 1.137 . . . . 0.0 109.297 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -83.08 130.79 35.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 110.302 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.834 ' HB2' HG23 ' A' ' 12' ' ' VAL . 38.8 mt -127.19 169.45 13.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.275 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 1.5 m -155.07 129.98 9.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.524 1.14 . . . . 0.0 110.037 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.74 HG22 ' HG2' ' A' ' 10' ' ' LYS . 7.9 m -124.04 -168.75 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.49 ' HG2' HD13 ' A' ' 86' ' ' ILE . 3.6 mmt -148.35 89.16 5.2 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.446 1.092 . . . . 0.0 111.014 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.442 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.04 159.35 41.3 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.484 1.781 . . . . 0.0 110.992 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.01 149.39 21.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -57.63 164.11 2.18 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.433 1.083 . . . . 0.0 109.249 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 3.5 t 72.63 89.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.58 1.175 . . . . 0.0 109.992 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -171.88 80.02 0.09 OUTLIER Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.522 1.139 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -70.92 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.526 1.803 . . . . 0.0 111.002 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 21.7 p -41.03 123.92 2.08 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.102 . . . . 0.0 110.017 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.96 90.55 2.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.003 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.057 0 O-C-N 124.493 1.121 . . . . 0.0 111.043 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -124.16 122.44 37.82 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.533 0.784 . . . . 0.0 109.984 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 60.61 87.61 0.09 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.15 . . . . 0.0 110.048 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.37 85.99 1.44 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.383 1.052 . . . . 0.0 110.978 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.2 p -157.04 -57.85 0.09 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.52 0.777 . . . . 0.0 109.987 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 m -112.37 152.28 28.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 110.009 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -112.4 -155.64 12.59 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.577 1.173 . . . . 0.0 111.042 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 91.18 -130.37 10.25 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.934 -0.866 . . . . 0.0 110.934 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.553 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.1 Cg_endo -75.13 152.1 39.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.557 1.819 . . . . 0.0 110.945 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' CD ' ' HG3' ' A' ' 118' ' ' PRO . 1.7 tttt -94.82 123.56 38.34 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.402 1.064 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.1 m -111.31 148.24 33.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.538 1.149 . . . . 0.0 110.295 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.699 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.4 OUTLIER -135.03 134.91 53.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.5 m -107.11 135.76 48.11 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 0.0 110.381 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.568 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.2 mp -120.75 135.59 55.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.528 1.142 . . . . 0.0 109.298 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 12.6 mttt -106.1 120.46 41.86 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.404 ' HD3' ' O ' ' A' ' 109' ' ' ASP . 0.6 OUTLIER -47.99 112.58 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.621 1.201 . . . . 0.0 110.257 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 11.3 p -83.21 -92.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.44 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -141.03 -66.93 0.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.023 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -63.48 -56.4 16.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 158.24 76.16 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.561 1.163 . . . . 0.0 110.949 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.421 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 17.6 m-85 59.4 -165.92 0.19 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.531 0.783 . . . . 0.0 110.992 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.468 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -134.27 62.92 0.62 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 111.066 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.474 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 3.5 p90 -179.19 160.07 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 0.782 . . . . 0.0 111.062 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.656 HG22 ' CG ' ' A' ' 67' ' ' GLN . 2.8 t -140.01 161.09 38.45 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.563 1.164 . . . . 0.0 110.438 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.409 HD13 ' C ' ' A' ' 24' ' ' THR . 1.1 mm? -110.03 177.65 4.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.72 175.4 3.42 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.464 1.103 . . . . 0.0 110.303 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.5 t60 67.82 104.99 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.636 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -159.0 126.16 4.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.598 1.186 . . . . 0.0 110.996 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 22.8 mt -113.61 109.66 29.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.445 1.091 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.626 HG12 ' H ' ' A' ' 31' ' ' TYR . 2.9 t -117.67 174.78 3.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 109.37 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.626 ' H ' HG12 ' A' ' 30' ' ' VAL . 25.6 m-85 -152.2 61.93 4.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.592 1.182 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.44 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.94 173.34 14.66 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.406 1.74 . . . . 0.0 111.038 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.0 144.73 30.59 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.49 1.784 . . . . 0.0 111.029 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.7 pm0 -80.74 154.93 26.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.23 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.6 t 42.61 34.19 0.53 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.532 1.145 . . . . 0.0 110.032 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.88 115.03 22.54 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.472 1.108 . . . . 0.0 109.259 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.527 ' H ' HD12 ' A' ' 37' ' ' ILE . 5.1 mp -75.29 85.84 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.418 1.074 . . . . 0.0 109.245 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 38' ' ' GLN . 21.5 mm-40 -95.83 134.37 38.87 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.451 1.095 . . . . 0.0 110.269 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -80.74 94.35 6.37 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.8 t -152.13 107.58 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 110.06 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -93.64 48.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.556 1.16 . . . . 0.0 111.005 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 54.52 52.01 13.08 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.587 1.179 . . . . 0.0 109.338 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.8 p-10 -173.94 107.7 0.13 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 109.265 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 33.5 mt-10 -85.19 152.96 22.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.413 1.07 . . . . 0.0 110.351 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -139.62 -59.44 0.56 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 110.326 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -179.91 157.76 0.72 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.419 1.075 . . . . 0.0 109.287 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -139.0 146.09 17.62 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.446 1.091 . . . . 0.0 111.008 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -92.19 150.9 20.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -116.36 146.24 42.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.29 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -105.19 -145.04 13.18 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.401 1.063 . . . . 0.0 110.973 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.16 -65.26 1.12 Allowed Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -50.74 128.77 21.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.552 0.796 . . . . 0.0 109.328 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 -117.75 157.94 25.63 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.439 1.087 . . . . 0.0 110.301 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -39.39 154.75 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -169.6 91.17 0.21 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.543 1.152 . . . . 0.0 109.314 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -175.84 170.93 2.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.425 1.078 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.596 ' N ' HD23 ' A' ' 57' ' ' LEU . 3.5 mt -85.51 88.82 7.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.552 1.157 . . . . 0.0 109.276 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -98.53 156.77 35.33 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.56 1.163 . . . . 0.0 110.29 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.85 -160.77 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.418 1.746 . . . . 0.0 111.023 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 9.0 mtt -122.16 -175.71 3.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.152 . . . . 0.0 110.981 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -169.88 105.99 0.34 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.284 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.633 HG22 ' CE1' ' A' ' 64' ' ' PHE . 0.8 OUTLIER -92.53 -6.99 48.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.388 1.055 . . . . 0.0 110.359 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.66 HD11 HG21 ' A' ' 101' ' ' VAL . 2.3 mp 59.82 152.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.563 1.164 . . . . 0.0 109.27 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.633 ' CE1' HG22 ' A' ' 62' ' ' THR . 39.7 m-85 -162.54 145.79 11.33 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.526 1.141 . . . . 0.0 110.979 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.614 HG11 ' O ' ' A' ' 80' ' ' CYS . 86.8 t -73.99 141.73 15.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.256 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.433 ' HB3' ' CG2' ' A' ' 24' ' ' THR . 0.0 OUTLIER -108.77 -30.71 8.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.16 . . . . 0.0 109.365 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.698 ' O ' HG23 ' A' ' 68' ' ' VAL . 3.7 pt20 -155.28 179.95 8.67 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.336 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.698 HG23 ' O ' ' A' ' 67' ' ' GLN . 25.9 t -160.53 127.17 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 109.284 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.468 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 13.0 tptt -69.73 113.51 7.06 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.584 1.177 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.31 98.73 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.271 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 113.58 25.21 4.39 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.386 1.054 . . . . 0.0 110.932 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -111.58 -160.39 16.08 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.436 ' HD2' ' N ' ' A' ' 22' ' ' GLY . 18.0 Cg_endo -75.12 -65.22 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.521 1.801 . . . . 0.0 111.022 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -42.57 -44.77 4.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.404 1.065 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -56.05 -55.4 33.3 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -63.5 -46.51 85.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.378 1.049 . . . . 0.0 110.277 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -48.32 -24.33 1.18 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.6 1.188 . . . . 0.0 109.229 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.14 10.35 30.09 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.538 1.149 . . . . 0.0 110.976 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.699 ' CD1' HG21 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -75.75 170.25 16.56 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.509 0.77 . . . . 0.0 109.187 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.614 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -164.7 -158.89 0.43 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.535 1.147 . . . . 0.0 108.313 179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.3 m -104.05 152.25 22.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.572 1.17 . . . . 0.0 110.296 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.66 -22.04 15.63 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.486 1.116 . . . . 0.0 111.033 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -62.77 136.28 57.78 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.555 0.797 . . . . 0.0 109.24 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.47 ' HB2' ' CG2' ' A' ' 62' ' ' THR . 15.4 ptt180 -95.28 149.19 21.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.277 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.525 HD13 HG12 ' A' ' 116' ' ' VAL . 36.3 mm -94.57 127.07 46.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.399 1.062 . . . . 0.0 109.321 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.987 HD12 ' HE3' ' A' ' 87' ' ' LYS . 4.4 pt -110.9 -38.71 3.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.224 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.987 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -146.25 164.02 33.62 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.572 HG12 ' N ' ' A' ' 89' ' ' ASN . 46.4 t -109.99 -115.34 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.551 1.157 . . . . 0.0 109.336 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.572 ' N ' HG12 ' A' ' 88' ' ' VAL . 5.1 p30 -105.19 53.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 86.78 34.98 10.51 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.53 1.144 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.53 ' HB3' HD13 ' A' ' 104' ' ' LEU . 0.1 OUTLIER -135.22 107.18 7.08 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 0.785 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 69.0 m -58.74 119.09 6.48 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.494 1.121 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.572 HG23 ' O ' ' A' ' 93' ' ' VAL . 12.4 m -83.54 52.08 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.394 1.059 . . . . 0.0 109.26 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 8.3 mm -102.63 119.84 51.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.566 1.166 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.53 54.81 4.49 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.436 1.085 . . . . 0.0 111.007 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.531 ' CD ' HG13 ' A' ' 101' ' ' VAL . 40.7 mttp -129.33 166.23 19.91 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 0.787 . . . . 0.0 109.328 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.744 HG23 ' O ' ' A' ' 97' ' ' THR . 4.9 t -134.0 49.85 2.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 110.35 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.459 ' HA ' ' CG2' ' A' ' 101' ' ' VAL . 5.2 t80 67.56 -61.76 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.443 1.089 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.401 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.2 OUTLIER -47.76 -30.74 4.16 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.515 1.134 . . . . 0.0 110.036 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.86 -64.59 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.66 HG21 HD11 ' A' ' 63' ' ' ILE . 7.6 m -53.04 -40.42 37.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.299 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 11.0 mm -46.78 -49.56 6.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -55.55 -43.66 76.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD13 ' HB3' ' A' ' 91' ' ' GLU . 29.6 mt -53.51 -36.47 61.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.403 HG12 HD11 ' A' ' 112' ' ' LEU . 7.8 mt -74.26 -33.74 35.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.475 1.11 . . . . 0.0 109.282 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -80.85 -16.89 52.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 110.204 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 103' ' ' ALA . 2.5 m-80 -79.16 -14.56 59.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.507 1.129 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 112' ' ' LEU . 0.1 OUTLIER -49.04 -58.02 5.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.019 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.404 ' O ' ' HD3' ' A' ' 16' ' ' ARG . 40.1 t0 70.77 -69.8 0.17 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.491 1.12 . . . . 0.0 109.335 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 68.2 m -94.21 -63.36 1.2 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' A' ' 108' ' ' SER . 0.6 OUTLIER -126.09 148.69 49.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.434 1.084 . . . . 0.0 110.38 -179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 108' ' ' SER . 0.8 OUTLIER -123.0 117.42 25.45 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.359 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.425 ' HB3' ' HA ' ' A' ' 89' ' ' ASN . 26.5 tt0 -99.28 143.68 29.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 0.0 110.257 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.543 ' HB2' HG23 ' A' ' 12' ' ' VAL . 10.2 mt -137.88 165.6 26.1 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.536 1.148 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 15.0 m -142.27 125.96 16.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 110.049 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.525 HG12 HD13 ' A' ' 85' ' ' ILE . 19.5 m -121.59 -167.23 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.553 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 5.3 mmt -147.51 89.86 5.35 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 0.0 110.983 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.445 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.1 Cg_endo -74.96 150.55 38.54 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.502 1.79 . . . . 0.0 110.974 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.03 156.31 19.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.219 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 122' ' ' GLY . 1.5 m-20 -109.01 -44.99 3.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.469 1.105 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 75.7 m 64.76 -78.23 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.568 1.167 . . . . 0.0 109.964 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 120' ' ' ASP . . . -110.57 -166.43 19.21 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.602 1.189 . . . . 0.0 110.991 -179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 59.81 5.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 5.0 m -146.3 90.34 1.94 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 109.993 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 70.8 p -68.45 159.26 32.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.002 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 O-C-N 124.447 1.092 . . . . 0.0 110.968 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.3 p -175.17 157.75 2.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 0.753 . . . . 0.0 109.954 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -160.98 89.99 0.82 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.488 1.117 . . . . 0.0 110.016 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 72.9 171.68 20.56 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.465 1.103 . . . . 0.0 111.03 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t -161.43 -50.59 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 0.761 . . . . 0.0 109.921 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -49.5 152.49 1.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.558 1.161 . . . . 0.0 110.002 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.62 59.41 1.25 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.594 1.184 . . . . 0.0 111.032 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 76.79 88.09 0.33 Allowed Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.438 ' HA ' ' HE3' ' A' ' 117' ' ' MET . 18.3 Cg_endo -75.01 134.25 17.57 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.513 1.796 . . . . 0.0 110.982 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.676 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.8 OUTLIER -103.43 119.25 38.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.4 m -96.53 134.4 39.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.637 1.21 . . . . 0.0 110.295 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.456 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -129.12 124.62 60.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 87.0 m -97.12 148.9 22.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.357 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.523 HD13 HD13 ' A' ' 112' ' ' LEU . 5.8 mp -134.36 156.07 49.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.361 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.782 ' HG2' HG22 ' A' ' 111' ' ' THR . 4.1 mttm -121.45 120.97 36.49 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.502 1.126 . . . . 0.0 109.318 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.451 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 0.0 OUTLIER -39.11 111.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.38 179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -89.89 175.73 7.09 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.581 1.175 . . . . 0.0 110.408 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 2.1 t -43.64 -57.41 3.19 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.447 1.092 . . . . 0.0 109.985 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.5 tp60 -133.03 128.75 36.99 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.263 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 64.68 -142.95 46.13 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.496 1.122 . . . . 0.0 111.09 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.494 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 1.2 m-85 -142.18 21.46 2.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 0.767 . . . . 0.0 111.05 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.456 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . 81.81 -81.11 1.69 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.515 1.134 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.5 p90 -59.88 169.88 1.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 0.781 . . . . 0.0 111.001 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.597 ' O ' HD13 ' A' ' 25' ' ' LEU . 8.7 t -158.1 170.2 22.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.665 ' N ' HD22 ' A' ' 25' ' ' LEU . 0.1 OUTLIER -121.29 158.72 27.55 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.411 1.07 . . . . 0.0 109.354 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -149.83 149.33 30.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.1 t60 179.76 130.33 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.605 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.431 ' O ' ' HB ' ' A' ' 29' ' ' ILE . 3.1 t80 -74.99 -174.04 2.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 110.995 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.431 ' HB ' ' O ' ' A' ' 28' ' ' PHE . 3.0 mt 79.25 84.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 32' ' ' PRO . 59.3 t -76.07 120.34 25.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.529 1.143 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.669 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 2.2 m-85 -83.27 -40.25 0.79 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 111.025 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.669 ' CD ' ' N ' ' A' ' 31' ' ' TYR . 18.2 Cg_endo -75.02 154.9 42.74 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.48 1.779 . . . . 0.0 110.934 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.4 ' HG2' ' HB3' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.96 -162.75 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.493 1.786 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 pm0 -129.9 138.95 51.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 110.316 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.3 t 61.97 26.9 16.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 110.057 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' HB3' ' HG2' ' A' ' 33' ' ' PRO . . . -110.32 -74.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 51.1 mt -66.51 95.9 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.556 1.16 . . . . 0.0 109.235 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -92.48 -16.41 25.85 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.352 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.35 101.97 14.64 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.74 97.24 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.962 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -167.55 -59.59 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 110.957 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.413 ' CE ' ' HA ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER -160.53 115.75 2.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 109.215 -179.95 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.97 114.73 23.0 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.34 143.59 0.61 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -60.49 109.54 1.04 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.145 . . . . 0.0 110.319 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -137.46 167.49 21.53 Favored 'General case' 0 C--N 1.323 -0.565 0 O-C-N 124.541 1.151 . . . . 0.0 109.361 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.89 170.36 1.04 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.523 1.139 . . . . 0.0 111.034 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 11.3 m-20 -143.85 165.02 28.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 0.749 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 2.7 mtt-85 -178.85 155.54 0.78 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 110.325 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -147.11 -162.35 9.9 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.594 1.184 . . . . 0.0 111.003 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 111.71 114.21 3.39 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -176.24 132.22 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 0.763 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -71.68 153.78 41.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -178.42 -51.28 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.433 1.083 . . . . 0.0 110.22 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 56.53 98.58 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 109.238 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.31 161.1 8.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 1.124 . . . . 0.0 110.362 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.6 mp -118.1 173.34 6.84 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.441 ' OE1' ' CD1' ' A' ' 31' ' ' TYR . 6.6 mm-40 -116.96 165.74 14.65 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.547 ' HG2' ' CE1' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.98 -18.08 19.08 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.479 1.778 . . . . 0.0 110.975 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 14.1 ptm -57.03 124.12 17.57 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.99 -78.05 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.237 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.545 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 32.8 m -146.81 162.63 38.21 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.525 1.141 . . . . 0.0 110.496 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.555 HG22 HG12 ' A' ' 85' ' ' ILE . 2.1 mp -89.8 134.89 27.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.572 1.17 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.545 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 88.6 m-85 -136.56 123.79 21.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.98 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.732 HG11 ' O ' ' A' ' 80' ' ' CYS . 87.5 t -49.78 142.93 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.235 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -107.81 -48.47 3.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.315 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -143.74 161.44 38.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.468 HG21 ' HA ' ' A' ' 80' ' ' CYS . 9.8 t -134.78 115.0 18.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.589 1.181 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.456 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 1.3 tmtt? -49.96 106.56 0.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.586 1.179 . . . . 0.0 109.346 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.91 86.39 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.426 1.079 . . . . 0.0 110.268 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.511 ' HA2' ' CE2' ' A' ' 75' ' ' PHE . . . 117.07 12.39 8.39 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.46 1.1 . . . . 0.0 111.106 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -95.24 -156.91 32.1 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 110.947 -0.861 . . . . 0.0 110.947 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -65.84 0.03 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.373 1.722 . . . . 0.0 110.978 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.471 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -43.65 -51.47 7.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 1.081 . . . . 0.0 109.244 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CE2' ' HA2' ' A' ' 71' ' ' GLY . 4.3 t80 -47.48 -49.02 26.7 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 111.056 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.444 ' HG2' ' CD2' ' A' ' 75' ' ' PHE . 2.9 mm-40 -70.87 -51.37 26.78 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.155 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -43.12 -27.91 0.25 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.113 . . . . 0.0 109.364 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.428 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 113.54 11.69 12.76 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.527 1.142 . . . . 0.0 110.988 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.456 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.0 tp -73.92 159.07 33.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.419 0.717 . . . . 0.0 109.34 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.732 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -156.15 -160.34 0.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.435 1.084 . . . . 0.0 108.382 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 12.7 p -103.51 137.95 40.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.371 1.044 . . . . 0.0 110.449 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 103.23 -20.5 42.59 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.696 ' O ' HG23 ' A' ' 65' ' ' VAL . 43.8 m-20 -72.69 125.6 27.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.451 0.736 . . . . 0.0 109.322 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 1.8 ptt180 -94.01 150.34 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.452 1.095 . . . . 0.0 110.416 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.555 HG12 HG22 ' A' ' 63' ' ' ILE . 24.1 mm -88.35 134.06 29.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.574 1.171 . . . . 0.0 109.324 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.677 HD12 ' HE3' ' A' ' 87' ' ' LYS . 41.5 pt -116.84 -38.76 2.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 109.34 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.677 ' HE3' HD12 ' A' ' 86' ' ' ILE . 10.0 mttt -132.99 160.11 38.08 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 51.2 t -146.28 110.29 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.575 1.172 . . . . 0.0 109.28 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 12.4 m-20 61.74 17.14 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 101.7 -9.68 57.11 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.457 1.098 . . . . 0.0 111.059 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -85.11 121.89 28.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 0.746 . . . . 0.0 110.356 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 12.4 p -74.36 112.17 10.26 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.976 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . . . . . . . . . 5.9 m -51.64 -22.91 2.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.579 1.175 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.422 HD13 ' HA ' ' A' ' 94' ' ' ILE . 26.7 mm -48.55 116.94 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.562 1.164 . . . . 0.0 109.269 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.1 -39.65 2.94 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.146 . . . . 0.0 111.003 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.1 mttm -67.64 162.24 24.02 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.505 0.767 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -113.9 160.93 18.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 110.42 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.453 ' CE1' HD11 ' A' ' 102' ' ' ILE . 29.5 t80 -38.18 -62.64 0.55 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -55.23 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.135 . . . . 0.0 109.943 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -51.28 -70.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.629 1.206 . . . . 0.0 110.307 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.447 HG22 ' O ' ' A' ' 98' ' ' TYR . 30.9 m -47.38 -38.51 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.15 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.453 HD11 ' CE1' ' A' ' 98' ' ' TYR . 11.6 mm -59.99 -54.43 34.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.147 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -53.8 -43.73 69.56 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.436 1.085 . . . . 0.0 109.332 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 53.1 mt -51.42 -33.19 29.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 19.1 mt -78.69 -46.54 24.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 8.6 mt-30 -60.92 -33.94 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 110.242 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -105.79 21.23 17.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.58 1.175 . . . . 0.0 109.316 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 83.1 p -56.71 -20.4 21.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.446 1.091 . . . . 0.0 110.016 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.8 t0 81.78 -152.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 39.3 m -47.24 -60.2 2.65 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.386 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.782 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.8 OUTLIER -107.54 -175.72 2.87 Favored 'General case' 0 C--N 1.323 -0.569 0 O-C-N 124.466 1.104 . . . . 0.0 110.426 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.625 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.4 OUTLIER -152.13 111.12 3.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.625 ' N ' HD22 ' A' ' 112' ' ' LEU . 19.6 tt0 -94.13 135.64 35.28 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.253 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.5 HD12 ' CD1' ' A' ' 14' ' ' LEU . 29.0 mt -127.02 -173.68 2.95 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.45 1.094 . . . . 0.0 109.369 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -166.08 131.59 2.4 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.489 1.118 . . . . 0.0 110.07 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.676 HG22 ' HG2' ' A' ' 10' ' ' LYS . 11.2 m -127.4 -164.84 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.177 . . . . 0.0 109.276 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.438 ' HE3' ' HA ' ' A' ' 9' ' ' PRO . 3.2 mmt -141.57 87.92 10.02 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.463 1.102 . . . . 0.0 111.062 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.5 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 17.9 Cg_endo -75.06 -179.18 4.75 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.438 1.757 . . . . 0.0 110.979 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.8 156.24 45.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.417 1.073 . . . . 0.0 109.32 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.12 -56.73 5.49 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 109.28 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 60.4 p -119.34 113.85 21.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.093 . . . . 0.0 109.961 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -170.8 87.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.571 1.169 . . . . 0.0 110.98 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -73.04 0.01 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 1.8 m 62.31 72.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.392 1.057 . . . . 0.0 110.011 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.81 165.67 23.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.635 1.209 . . . . 0.0 110.047 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.581 1.175 . . . . 0.0 110.973 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.883 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t -160.11 150.83 18.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 0.725 . . . . 0.0 110.032 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.5 p -158.96 141.18 13.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.613 1.195 . . . . 0.0 109.965 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -57.34 152.17 26.09 Favored Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.547 1.154 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -155.91 96.94 1.78 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.536 0.786 . . . . 0.0 109.961 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.6 m 40.44 82.92 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.76 165.45 24.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.517 1.136 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 89.63 161.26 37.31 Favored Glycine 0 CA--C 1.53 0.988 0 N-CA-C 110.962 -0.855 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.56 41.09 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 110.987 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.467 ' HE2' ' CG2' ' A' ' 116' ' ' VAL . 7.3 tttt -90.56 152.16 21.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.275 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.6 m -135.37 131.18 36.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.445 1.091 . . . . 0.0 110.353 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.605 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -142.37 125.19 14.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 179.908 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.7 m -101.1 153.14 19.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.556 HD11 HD12 ' A' ' 114' ' ' LEU . 4.4 mp -135.72 156.86 48.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 28.6 mttt -131.71 115.65 16.29 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.533 1.146 . . . . 0.0 109.279 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -39.3 113.76 0.35 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.351 1.032 . . . . 0.0 110.324 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.465 HG23 ' N ' ' A' ' 18' ' ' SER . 2.8 t -125.81 -53.39 1.55 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.465 ' N ' HG23 ' A' ' 17' ' ' THR . 94.1 p -164.94 150.65 9.88 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.496 1.123 . . . . 0.0 109.951 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 54.93 -178.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.452 1.095 . . . . 0.0 110.279 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.41 75.25 0.2 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.479 1.112 . . . . 0.0 111.03 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.464 ' O ' ' CD1' ' A' ' 23' ' ' PHE . 24.5 m-85 45.34 67.82 0.67 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.471 0.747 . . . . 0.0 110.954 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 23' ' ' PHE . . . 38.16 -94.43 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.571 1.169 . . . . 0.0 111.066 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.714 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.2 p90 -45.92 173.02 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.465 0.744 . . . . 0.0 110.969 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.453 ' O ' HD13 ' A' ' 25' ' ' LEU . 1.5 t -153.87 170.9 19.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 110.417 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.521 ' N ' HD22 ' A' ' 25' ' ' LEU . 1.0 OUTLIER -116.53 162.47 17.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.37 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -172.63 175.1 3.55 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.539 1.149 . . . . 0.0 110.315 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 3.7 m170 59.05 80.75 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -106.74 -173.19 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.444 1.09 . . . . 0.0 111.033 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.688 HD13 ' HG2' ' A' ' 59' ' ' PRO . 1.1 pp -117.91 178.71 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.499 HG23 ' N ' ' A' ' 31' ' ' TYR . 29.8 m -108.18 -128.99 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.499 ' N ' HG23 ' A' ' 30' ' ' VAL . 72.4 m-85 57.04 59.17 7.83 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 111.024 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' HD3' ' N ' ' A' ' 31' ' ' TYR . 18.0 Cg_endo -74.97 163.16 35.93 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.512 1.796 . . . . 0.0 110.95 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.5 ' CG ' ' HB3' ' A' ' 36' ' ' ALA . 18.2 Cg_endo -75.08 -162.47 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.442 1.759 . . . . 0.0 110.957 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.405 ' HB2' ' CZ ' ' A' ' 54' ' ' ARG . 2.4 mt-10 -122.6 -51.22 1.95 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 110.352 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 39.3 t -133.53 33.59 3.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.577 1.173 . . . . 0.0 109.937 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.5 ' HB3' ' CG ' ' A' ' 33' ' ' PRO . . . -79.95 58.08 2.8 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 109.271 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 54.9 mt -78.52 120.67 29.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -80.07 61.67 4.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 42.95 84.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.4 t 51.62 99.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.096 . . . . 0.0 109.942 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER 60.78 175.07 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.524 1.14 . . . . 0.0 111.02 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.57 138.01 23.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.414 1.071 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t70 178.5 110.08 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.344 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -137.69 155.81 48.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.554 1.158 . . . . 0.0 110.245 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -174.99 -57.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 110.302 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -172.55 126.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 139.52 -158.44 25.5 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 62.84 116.53 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 0.762 . . . . 0.0 109.203 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.8 ptt-85 -129.52 149.61 51.22 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 110.254 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 168.82 -106.64 0.25 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.546 1.154 . . . . 0.0 110.973 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 116.3 129.18 4.35 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 60.74 96.73 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.529 0.782 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.573 ' O ' ' C ' ' A' ' 54' ' ' ARG . 0.0 OUTLIER -112.62 89.13 2.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.349 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.573 ' C ' ' O ' ' A' ' 53' ' ' GLN . 0.0 OUTLIER 24.14 83.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -121.68 147.72 45.51 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.424 1.078 . . . . 0.0 109.342 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.61 73.07 0.83 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.5 mm? 52.99 79.68 0.11 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -45.09 160.11 0.26 Allowed Pre-proline 0 C--N 1.327 -0.41 0 O-C-N 124.492 1.12 . . . . 0.0 110.315 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.688 ' HG2' HD13 ' A' ' 29' ' ' ILE . 18.5 Cg_endo -74.99 -160.82 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.82 -54.55 1.73 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -40.67 152.03 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 109.345 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.651 HG22 ' HE1' ' A' ' 64' ' ' PHE . 13.3 t -137.47 -152.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.578 1.174 . . . . 0.0 110.379 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' CD1' HG21 ' A' ' 101' ' ' VAL . 1.8 mp -78.53 103.5 5.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.584 1.178 . . . . 0.0 109.25 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.651 ' HE1' HG22 ' A' ' 62' ' ' THR . 7.8 m-85 -111.39 132.97 54.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.635 HG11 ' O ' ' A' ' 80' ' ' CYS . 80.7 t -51.87 156.6 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 0.0 109.213 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.42 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.9 OUTLIER -122.6 -60.94 1.5 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -133.11 162.78 30.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.455 1.097 . . . . 0.0 110.366 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.404 ' O ' ' C ' ' A' ' 69' ' ' LYS . 23.9 t -134.58 108.63 10.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.52 1.137 . . . . 0.0 109.321 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 68' ' ' VAL . 0.0 OUTLIER -40.15 121.95 1.43 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.593 1.183 . . . . 0.0 109.283 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -71.67 76.15 0.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.446 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 116.38 32.22 1.68 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.489 1.118 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' CG ' ' A' ' 76' ' ' GLU . . . -107.3 -154.78 19.47 Favored Glycine 0 CA--C 1.531 1.066 0 N-CA-C 110.904 -0.879 . . . . 0.0 110.904 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.458 ' HG3' HG22 ' A' ' 17' ' ' THR . 18.4 Cg_endo -75.02 -68.15 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.586 1.835 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.441 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -44.25 -38.51 3.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.308 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.446 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 25.0 t80 -60.45 -40.35 90.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 111.034 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 72' ' ' GLY . 2.3 mm-40 -69.13 -49.09 60.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 110.275 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -54.72 -19.72 6.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.555 1.159 . . . . 0.0 109.276 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 97.38 15.42 38.08 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.339 1.025 . . . . 0.0 111.042 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.605 ' CD1' HG21 ' A' ' 12' ' ' VAL . 3.3 tp -64.52 154.59 35.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.635 ' O ' HG11 ' A' ' 65' ' ' VAL . 16.6 p -141.91 -164.68 1.84 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 157.48 17.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.332 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.54 -31.15 4.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.517 1.135 . . . . 0.0 111.016 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.6 ' O ' HG23 ' A' ' 65' ' ' VAL . 25.8 m-20 -59.04 128.87 39.4 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.546 0.792 . . . . 0.0 109.319 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 19.8 ptt180 -94.62 148.81 21.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 110.271 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.506 HD13 HG12 ' A' ' 116' ' ' VAL . 36.0 mm -82.41 129.81 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.819 HG21 ' HG3' ' A' ' 117' ' ' MET . 34.6 pt -111.86 -34.95 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.696 ' HE3' HD12 ' A' ' 86' ' ' ILE . 0.3 OUTLIER -137.27 163.77 30.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.35 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.568 HG23 ' O ' ' A' ' 87' ' ' LYS . 56.0 t -157.64 104.69 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.42 1.075 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.46 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 0.9 OUTLIER 58.96 39.96 23.0 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.375 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 52.3 21.7 9.03 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.554 1.158 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -89.99 -15.4 31.98 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.444 0.731 . . . . 0.0 110.233 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.1 t 61.33 105.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.018 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 93' ' ' VAL . 13.8 m -89.77 48.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 109.354 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 21.1 mm -95.01 102.93 14.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 109.311 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 103.37 -45.83 1.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.587 1.179 . . . . 0.0 110.972 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.7 mttt -42.65 151.72 0.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 0.75 . . . . 0.0 109.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.437 ' OG1' ' N ' ' A' ' 98' ' ' TYR . 11.4 t -85.47 -154.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.524 1.14 . . . . 0.0 110.436 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.445 ' CE1' HD11 ' A' ' 102' ' ' ILE . 22.6 t80 -83.59 -51.97 6.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 110.95 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -56.04 -44.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.596 1.185 . . . . 0.0 110.06 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -52.1 -66.23 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.447 1.092 . . . . 0.0 110.405 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.486 HG21 ' CD1' ' A' ' 63' ' ' ILE . 34.8 m -52.89 -38.05 27.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.394 1.059 . . . . 0.0 109.277 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.445 HD11 ' CE1' ' A' ' 98' ' ' TYR . 3.7 mm -58.42 -46.83 89.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.553 1.158 . . . . 0.0 109.403 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.461 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -62.25 -32.71 73.44 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.419 ' HA ' ' ND2' ' A' ' 107' ' ' ASN . 10.5 mt -64.95 -29.34 70.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.612 HG23 ' HG ' ' A' ' 112' ' ' LEU . 13.0 mt -84.3 -36.57 11.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.506 1.129 . . . . 0.0 109.336 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -78.9 -24.1 44.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 110.372 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.524 ' C ' ' OD1' ' A' ' 107' ' ' ASN . 41.3 p30 -99.65 -0.37 40.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.252 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.689 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.5 OUTLIER -71.42 -6.33 39.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.159 . . . . 0.0 109.984 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 108' ' ' SER . 3.9 t70 76.84 -156.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.27 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.5 m -53.9 -60.73 2.94 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.549 1.156 . . . . 0.0 110.423 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -83.13 155.49 23.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.169 . . . . 0.0 110.412 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.689 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.7 OUTLIER -152.2 120.33 6.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 109.3 179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.574 ' N ' HD22 ' A' ' 112' ' ' LEU . 39.8 tt0 -98.25 148.23 23.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.534 1.147 . . . . 0.0 110.322 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.714 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 24.5 mt -131.53 -179.48 5.39 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.582 1.177 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.403 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -163.06 125.26 2.6 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.107 . . . . 0.0 109.973 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.648 HG23 ' HD3' ' A' ' 118' ' ' PRO . 10.3 m -125.26 -174.72 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.819 ' HG3' HG21 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -144.9 82.29 10.17 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.638 1.211 . . . . 0.0 110.977 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.648 ' HD3' HG23 ' A' ' 116' ' ' VAL . 18.4 Cg_endo -74.95 -178.19 3.98 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.593 1.839 . . . . 0.0 110.979 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.76 144.45 22.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.6 t70 63.41 102.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 10.9 m -40.8 -72.52 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 0.0 109.996 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 99.88 -141.41 15.44 Favored Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.487 1.117 . . . . 0.0 111.002 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 134.81 18.45 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.4 1.737 . . . . 0.0 110.958 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -109.84 177.22 4.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.975 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 39.9 83.66 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.518 1.136 . . . . 0.0 110.006 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.538 1.149 . . . . 0.0 110.979 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 t -150.04 94.63 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.74 . . . . 0.0 109.985 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.97 170.54 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.923 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 128.41 108.97 1.44 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 75.2 m -149.85 150.91 32.65 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.564 0.802 . . . . 0.0 109.96 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m 51.18 91.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.972 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.99 65.45 0.06 OUTLIER Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.131 . . . . 0.0 110.957 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 152.49 -147.06 16.27 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.91 -162.9 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.522 1.801 . . . . 0.0 111.09 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.55 ' CD ' ' CG2' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -105.61 128.21 53.5 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 15.5 m -116.95 130.78 56.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.488 1.118 . . . . 0.0 110.472 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.584 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.2 OUTLIER -138.46 143.84 31.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.466 1.104 . . . . 0.0 109.368 -179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 3.7 m -111.43 155.42 23.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.395 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.632 HD11 HD12 ' A' ' 114' ' ' LEU . 5.5 mp -139.6 130.5 26.2 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 109.262 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.498 ' HG3' ' CG2' ' A' ' 111' ' ' THR . 0.0 OUTLIER -97.73 113.68 25.51 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.161 . . . . 0.0 109.272 -179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.495 ' CB ' ' O ' ' A' ' 110' ' ' THR . 0.1 OUTLIER -41.05 111.91 0.25 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 15.1 p -72.21 -28.69 63.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 t -172.24 -75.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.401 1.063 . . . . 0.0 110.019 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -114.76 -67.61 0.98 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.434 ' O ' ' CG ' ' A' ' 21' ' ' PHE . . . -87.54 -121.16 1.52 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.497 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 37.2 m-85 -163.89 162.18 23.4 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.407 0.71 . . . . 0.0 110.965 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.466 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -46.36 -91.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.451 1.094 . . . . 0.0 110.99 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.686 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 3.3 p90 -45.88 170.68 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.442 0.73 . . . . 0.0 110.939 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.559 HG22 ' HG3' ' A' ' 67' ' ' GLN . 14.0 t -145.48 162.31 37.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.539 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.0 OUTLIER -109.35 172.84 6.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.351 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -118.57 139.49 51.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.575 1.172 . . . . 0.0 110.254 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.542 ' CG ' ' CD2' ' A' ' 98' ' ' TYR . 45.5 t-80 -178.14 102.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.578 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.554 ' O ' ' CD1' ' A' ' 28' ' ' PHE . 0.3 OUTLIER -119.33 -33.84 3.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.572 1.17 . . . . 0.0 111.065 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.737 ' O ' HG12 ' A' ' 30' ' ' VAL . 38.6 mt -34.12 -51.93 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.233 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.737 HG12 ' O ' ' A' ' 29' ' ' ILE . 8.0 p 50.19 177.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 109.228 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.672 ' H ' HG22 ' A' ' 30' ' ' VAL . 26.9 m-85 -149.34 91.38 4.47 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.55 1.156 . . . . 0.0 110.978 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 164.36 33.52 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.511 1.795 . . . . 0.0 111.048 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.499 ' O ' ' CB ' ' A' ' 34' ' ' GLU . 18.2 Cg_endo -75.02 -0.11 9.58 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.504 1.792 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.499 ' CB ' ' O ' ' A' ' 33' ' ' PRO . 3.9 tt0 85.97 -45.44 0.06 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.519 1.137 . . . . 0.0 110.255 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.445 ' O ' ' HB2' ' A' ' 36' ' ' ALA . 5.1 t -128.77 115.27 17.69 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.056 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.445 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 177.8 108.34 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.555 1.16 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 5.9 mt -87.5 -9.99 10.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 0.0 109.266 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -44.3 139.83 2.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -55.35 156.62 4.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.943 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.35 175.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 0.0 110.066 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.564 ' C ' ' CD1' ' A' ' 41' ' ' TYR . 0.0 OUTLIER -85.67 44.0 1.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.142 . . . . 0.0 111.004 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 12.0 mmtt -113.34 92.0 3.84 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.161 . . . . 0.0 109.274 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -155.48 -57.71 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -142.23 162.64 34.96 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.68 102.47 11.7 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 110.292 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -163.6 148.44 10.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 0.0 109.359 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.91 119.88 0.5 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.558 1.161 . . . . 0.0 111.009 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 65.4 m-80 -121.68 -59.34 1.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.56 0.8 . . . . 0.0 109.306 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -167.52 136.12 2.56 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.391 1.057 . . . . 0.0 110.262 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 173.82 120.78 0.59 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 125.59 107.94 1.64 Allowed Glycine 0 CA--C 1.53 0.97 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -179.54 99.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.454 0.738 . . . . 0.0 109.332 -179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 2.4 mt-30 -176.69 -61.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.318 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 16.7 mtm-85 -85.03 166.35 16.77 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.264 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -149.53 149.54 30.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 109.274 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -146.97 160.82 41.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.34 76.05 7.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.4 mt-10 -90.67 157.19 44.36 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.507 ' HD2' ' CE1' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.96 -161.09 0.11 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.513 1.796 . . . . 0.0 110.967 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.429 ' O ' HD12 ' A' ' 29' ' ' ILE . 5.8 mtt -139.1 178.41 7.19 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.431 1.082 . . . . 0.0 111.06 179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.455 ' HB2' HD12 ' A' ' 29' ' ' ILE . 35.2 t70 -178.06 94.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 1.158 . . . . 0.0 109.28 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.5 m -54.99 166.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.364 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.655 HG22 HG12 ' A' ' 85' ' ' ILE . 2.7 mp -90.57 104.71 15.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.471 ' CE1' ' HB3' ' A' ' 84' ' ' ARG . 6.0 m-85 -121.79 130.48 53.43 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.629 1.205 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.694 HG23 ' O ' ' A' ' 83' ' ' ASP . 80.4 t -51.76 147.45 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.24 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.499 ' HB3' HG23 ' A' ' 24' ' ' THR . 6.6 tttp -117.5 -49.15 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.408 1.067 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.559 ' HG3' HG22 ' A' ' 24' ' ' THR . 0.7 OUTLIER -142.14 167.26 22.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.33 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 23.9 t -137.46 114.76 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 109.338 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.466 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 1.5 tptp -57.88 115.98 3.19 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.22 92.82 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.44 19.08 7.23 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.401 1.063 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -100.72 -159.78 27.75 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -57.85 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.548 1.815 . . . . 0.0 110.999 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.531 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.33 -47.36 55.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.366 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 10.8 t80 -52.86 -46.27 67.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 111.01 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 1.5 mm-40 -73.23 -50.19 23.77 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.186 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -45.48 -26.34 0.55 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.248 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 103.02 21.05 10.45 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.481 1.113 . . . . 0.0 110.956 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.584 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.7 tp -79.17 162.96 25.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.578 0.811 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.633 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -150.53 -160.52 1.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.33 160.89 14.52 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 110.377 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 81.09 -6.6 62.54 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.558 1.161 . . . . 0.0 111.045 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.694 ' O ' HG23 ' A' ' 65' ' ' VAL . 2.0 m-20 -86.69 121.76 29.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.581 0.812 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.471 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 19.8 ptt180 -94.0 150.11 20.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.568 1.167 . . . . 0.0 110.238 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.655 HG12 HG22 ' A' ' 63' ' ' ILE . 13.3 mm -90.89 141.01 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.218 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.861 ' O ' HG22 ' A' ' 93' ' ' VAL . 6.7 pt -121.53 -41.44 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.261 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.608 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.7 mttt -125.49 161.53 26.91 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 1.097 . . . . 0.0 109.295 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 91' ' ' GLU . 38.7 t -150.73 118.41 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.083 . . . . 0.0 109.324 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 48.39 27.74 1.46 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.535 1.147 . . . . 0.0 109.399 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.41 33.13 85.69 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.429 1.081 . . . . 0.0 111.077 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.422 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -108.12 -7.18 16.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 0.743 . . . . 0.0 110.251 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.7 m 62.46 144.46 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 110.053 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.861 HG22 ' O ' ' A' ' 86' ' ' ILE . 10.5 m -100.43 -25.06 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.478 ' H ' HD12 ' A' ' 94' ' ' ILE . 3.8 mp -51.72 122.48 2.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.07 -23.18 36.96 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.541 1.15 . . . . 0.0 110.953 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.69 ' HE2' HD11 ' A' ' 104' ' ' LEU . 36.0 mttp -81.3 156.83 25.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.425 0.721 . . . . 0.0 109.335 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.736 HG23 ' O ' ' A' ' 97' ' ' THR . 13.3 t -114.8 62.38 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.384 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.543 ' O ' HG22 ' A' ' 101' ' ' VAL . 24.0 t80 55.53 -83.39 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.393 1.058 . . . . 0.0 110.981 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.491 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -35.61 -34.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.97 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 98' ' ' TYR . 11.6 mt-30 -63.81 -57.39 10.04 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.414 1.071 . . . . 0.0 110.228 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.543 HG22 ' O ' ' A' ' 98' ' ' TYR . 13.9 m -63.21 -31.32 52.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.24 -179.896 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.438 HD11 ' CE1' ' A' ' 98' ' ' TYR . 14.0 mm -54.83 -49.91 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.409 1.068 . . . . 0.0 109.326 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.419 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -56.17 -44.89 79.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.241 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.69 HD11 ' HE2' ' A' ' 96' ' ' LYS . 47.6 mt -52.13 -42.9 63.7 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.51 1.131 . . . . 0.0 109.231 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 27.7 mt -67.22 -45.33 86.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 109.221 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -65.02 -30.19 71.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.315 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 103' ' ' ALA . 34.5 m-80 -113.65 28.19 8.97 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.41 1.069 . . . . 0.0 109.315 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.801 ' OG ' HD23 ' A' ' 112' ' ' LEU . 1.9 m -77.01 -0.1 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.05 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.533 ' CB ' ' O ' ' A' ' 108' ' ' SER . 5.6 t70 84.15 -176.72 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 16' ' ' ARG . 88.1 m -41.05 -36.44 0.69 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.609 1.193 . . . . 0.0 110.403 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.498 ' CG2' ' HG3' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -116.3 177.49 4.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.372 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.801 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.3 OUTLIER -156.49 111.94 2.92 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.687 ' N ' HD22 ' A' ' 112' ' ' LEU . 25.7 tt0 -90.28 128.53 36.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.531 1.144 . . . . 0.0 110.32 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.686 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 28.6 mt -108.28 172.09 7.03 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.452 1.095 . . . . 0.0 109.374 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.7 OUTLIER -149.88 117.42 6.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.02 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.601 HG23 ' CD ' ' A' ' 118' ' ' PRO . 34.0 m -130.8 174.71 12.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.671 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -141.58 49.25 1.4 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.425 1.078 . . . . 0.0 111.031 -179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.671 ' HD3' ' N ' ' A' ' 117' ' ' MET . 18.5 Cg_endo -74.91 160.19 40.74 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.451 1.764 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -136.61 33.58 2.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 -85.15 105.78 16.12 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.61 -48.73 13.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 81.45 175.16 49.95 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.553 1.158 . . . . 0.0 111.053 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -55.43 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.508 1.794 . . . . 0.0 110.958 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 3.8 t 72.42 -61.61 0.49 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.9 t -148.75 144.95 27.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.429 1.081 . . . . 0.0 110.031 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.9 p -153.52 -62.03 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.782 . . . . 0.0 109.994 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.78 155.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.11 -179.38 51.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.466 1.104 . . . . 0.0 111.047 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.3 t -140.95 155.47 46.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.423 0.719 . . . . 0.0 110.044 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.76 102.82 2.39 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.423 1.077 . . . . 0.0 109.949 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -55.13 176.01 0.59 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.439 1.087 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.91 -76.2 0.34 Allowed Glycine 0 CA--C 1.53 1.017 0 N-CA-C 111.049 -0.82 . . . . 0.0 111.049 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 166.65 28.8 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.474 1.776 . . . . 0.0 111.025 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.719 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.3 OUTLIER -126.82 119.22 26.3 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 1.15 . . . . 0.0 109.348 179.916 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 m -96.87 129.74 44.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 1.153 . . . . 0.0 110.339 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.657 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.8 OUTLIER -127.64 141.87 45.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.435 1.084 . . . . 0.0 109.265 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.457 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 39.8 m -110.01 147.48 33.44 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.136 . . . . 0.0 110.427 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.603 ' CD1' HD12 ' A' ' 114' ' ' LEU . 5.8 mp -133.81 160.47 37.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.493 1.12 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.91 ' O ' HG23 ' A' ' 17' ' ' THR . 14.7 mttt -129.04 120.83 26.67 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.428 1.08 . . . . 0.0 109.258 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HA ' ' CE1' ' A' ' 21' ' ' PHE . 5.3 ttt180 -38.13 111.79 0.19 Allowed 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.91 HG23 ' O ' ' A' ' 15' ' ' LYS . 4.6 p -122.06 -51.86 1.99 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.575 1.172 . . . . 0.0 110.462 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.4 p -120.26 -174.88 2.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 109.912 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -46.55 -58.63 3.62 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.16 . . . . 0.0 110.272 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -122.38 49.97 0.86 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.432 1.083 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.501 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 99.6 m-85 50.8 178.17 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 0.769 . . . . 0.0 111.006 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.413 ' CA ' ' HB3' ' A' ' 69' ' ' LYS . . . -56.11 -78.27 0.13 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.545 1.153 . . . . 0.0 111.069 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.679 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 7.2 p90 -51.09 172.27 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 0.778 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.546 ' C ' HD13 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -158.03 160.49 37.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.406 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.546 HD13 ' C ' ' A' ' 24' ' ' THR . 0.3 OUTLIER -110.35 176.24 5.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.565 1.165 . . . . 0.0 109.285 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 10.0 ttt180 -117.39 167.89 10.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.39 1.056 . . . . 0.0 110.268 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.418 ' O ' ' O ' ' A' ' 28' ' ' PHE . 39.4 m80 -94.58 41.87 1.09 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.502 1.126 . . . . 0.0 109.633 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.821 ' O ' HG13 ' A' ' 30' ' ' VAL . 4.3 p90 -48.5 179.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.58 1.175 . . . . 0.0 111.037 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.923 HG23 ' CE1' ' A' ' 31' ' ' TYR . 14.4 mt -63.52 100.68 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.215 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.821 HG13 ' O ' ' A' ' 28' ' ' PHE . 1.3 m -110.17 -26.94 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.095 . . . . 0.0 109.268 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.923 ' CE1' HG23 ' A' ' 29' ' ' ILE . 3.1 m-85 54.26 67.84 3.15 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 110.957 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.484 ' HD3' HG22 ' A' ' 30' ' ' VAL . 18.3 Cg_endo -74.95 148.64 35.8 Favored 'Trans proline' 0 C--N 1.358 1.067 0 O-C-N 124.453 1.765 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.464 ' HG2' ' CB ' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -75.0 172.61 16.03 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.515 1.797 . . . . 0.0 111.013 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -86.08 157.23 20.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.219 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.4 t 39.88 34.95 0.2 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 110.083 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' CB ' ' HG2' ' A' ' 33' ' ' PRO . . . -109.32 73.35 0.85 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.383 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.482 HG22 ' N ' ' A' ' 38' ' ' GLN . 42.7 mm -105.73 -99.86 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' N ' HG22 ' A' ' 37' ' ' ILE . 2.6 mp0 65.38 75.57 0.35 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -99.38 156.86 16.79 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 110.925 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -99.56 106.72 18.74 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.533 1.146 . . . . 0.0 110.047 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -168.22 -67.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.118 . . . . 0.0 111.067 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.59 57.75 0.74 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.485 1.116 . . . . 0.0 109.283 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -133.58 165.78 24.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.13 . . . . 0.0 109.332 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -112.94 151.65 30.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -43.75 164.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.572 1.17 . . . . 0.0 110.334 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 56.21 102.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.365 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.89 -109.06 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.556 1.16 . . . . 0.0 111.044 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 42.5 t30 -160.96 -55.81 0.05 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 109.292 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.86 170.0 21.43 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.498 1.124 . . . . 0.0 110.264 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -153.08 -118.57 0.73 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 71.69 160.74 4.48 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.2 mtmt -176.09 130.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.208 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -76.93 -175.25 3.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 32.5 ptt-85 -132.07 44.21 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -135.36 98.7 4.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.362 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -177.52 163.44 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.332 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 5.5 mp -119.14 179.65 4.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.108 . . . . 0.0 109.222 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -178.72 157.42 0.97 Allowed Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.59 1.181 . . . . 0.0 110.341 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.561 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 18.5 Cg_endo -74.96 -58.58 0.05 OUTLIER 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.551 1.816 . . . . 0.0 111.04 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -164.63 165.95 20.57 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.462 1.101 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 61' ' ' ASP . 0.3 OUTLIER -151.16 88.49 1.45 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.211 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.471 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 22.8 m -143.25 164.38 30.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.447 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.536 HG22 HG12 ' A' ' 85' ' ' ILE . 2.5 mp -120.13 139.6 46.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.618 1.199 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.516 ' CZ ' ' HG2' ' A' ' 84' ' ' ARG . 31.7 m-85 -135.42 139.34 44.06 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 110.956 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.645 HG11 ' O ' ' A' ' 80' ' ' CYS . 40.1 t -66.07 138.88 22.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 109.242 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.452 ' HD2' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -93.42 -54.65 3.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.554 1.159 . . . . 0.0 109.297 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -151.68 172.38 16.19 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.553 1.158 . . . . 0.0 110.319 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.473 HG21 ' HA ' ' A' ' 80' ' ' CYS . 76.6 t -131.83 127.68 58.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.099 . . . . 0.0 109.324 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.413 ' HB3' ' CA ' ' A' ' 22' ' ' GLY . 30.0 tptt -69.55 113.92 7.29 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.502 1.126 . . . . 0.0 109.287 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -65.68 91.79 0.14 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 110.253 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 112.24 28.03 3.72 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.574 1.171 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.62 -160.72 17.53 Favored Glycine 0 CA--C 1.53 0.973 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -62.25 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.494 1.786 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.532 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -44.93 -51.7 9.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 18.9 t80 -48.12 -46.75 34.52 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 111.033 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.412 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.0 mm-40 -71.61 -51.97 20.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.457 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -44.19 -27.0 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.427 1.08 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.417 ' O ' ' NZ ' ' A' ' 10' ' ' LYS . . . 105.06 23.95 7.47 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.531 1.144 . . . . 0.0 111.022 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.657 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.0 OUTLIER -82.96 165.64 19.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 0.736 . . . . 0.0 109.338 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.645 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -156.12 -160.8 1.04 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.451 1.094 . . . . 0.0 108.375 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -103.93 156.42 17.86 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.464 1.102 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 87.61 -22.97 14.19 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.512 1.133 . . . . 0.0 110.946 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 56.9 m-20 -70.23 131.59 44.44 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 0.801 . . . . 0.0 109.313 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.516 ' HG2' ' CZ ' ' A' ' 64' ' ' PHE . 3.2 mtm180 -100.06 149.35 23.57 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.354 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.536 HG12 HG22 ' A' ' 63' ' ' ILE . 15.0 mm -84.3 137.87 20.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.68 ' O ' HG22 ' A' ' 93' ' ' VAL . 20.4 pt -120.88 -40.42 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.245 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.569 ' O ' HG23 ' A' ' 88' ' ' VAL . 4.0 mttt -129.7 158.93 38.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.302 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.569 HG23 ' O ' ' A' ' 87' ' ' LYS . 54.1 t -157.58 137.32 3.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.356 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 28.7 m120 45.11 40.84 5.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 109.391 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 53.76 34.02 50.09 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.077 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -116.28 160.08 20.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.225 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 19.6 m -95.72 102.67 14.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.906 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.68 HG22 ' O ' ' A' ' 86' ' ' ILE . 12.2 m -92.16 37.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.312 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 mm -86.86 87.61 2.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.297 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 119.09 -38.09 2.96 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.547 1.154 . . . . 0.0 110.918 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 33.3 mttp -44.59 153.48 0.16 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.474 0.75 . . . . 0.0 109.305 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.459 ' O ' ' N ' ' A' ' 100' ' ' GLN . 5.2 t -95.36 149.77 21.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.551 1.157 . . . . 0.0 110.378 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.988 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 68.7 t80 -39.26 -46.96 1.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 110.972 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 5.8 t -52.1 -44.29 64.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.994 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.459 ' N ' ' O ' ' A' ' 97' ' ' THR . 47.8 mt-30 -61.71 -68.12 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.531 HG12 ' CG1' ' A' ' 93' ' ' VAL . 11.2 m -46.9 -39.67 4.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.988 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 2.0 mm -50.39 -48.06 25.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 109.399 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -60.93 -47.17 87.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.295 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 37.4 mt -47.7 -38.02 14.3 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.241 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 47.7 mt -74.69 -49.88 28.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 13.3 mt-30 -58.07 -23.58 55.14 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 45.3 m-80 -110.24 16.77 21.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.409 ' O ' ' CB ' ' A' ' 109' ' ' ASP . 77.2 p -61.97 -15.79 46.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 110.04 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 108' ' ' SER . 6.9 t0 75.23 -157.42 0.05 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.5 m -46.36 -61.28 1.86 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.428 1.08 . . . . 0.0 110.386 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.755 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -95.41 176.0 6.36 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.628 1.205 . . . . 0.0 110.411 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.635 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -155.0 109.6 2.98 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.355 179.956 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.635 ' N ' HD22 ' A' ' 112' ' ' LEU . 30.6 tt0 -92.79 138.82 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 110.284 -179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.679 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 18.3 mt -126.88 177.26 6.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.098 . . . . 0.0 109.351 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' A' ' 10' ' ' LYS . 0.9 OUTLIER -160.12 132.82 6.52 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 110.016 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.719 HG22 ' HG2' ' A' ' 10' ' ' LYS . 10.9 m -134.16 -175.68 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.289 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.65 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -125.99 86.18 58.2 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.595 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.16 164.26 33.41 Favored 'Trans proline' 0 C--N 1.361 1.223 0 O-C-N 124.378 1.725 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.73 164.08 15.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.421 1.076 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.1 137.43 58.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 109.257 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.91 128.95 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -177.91 154.02 14.29 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 137.64 22.05 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -140.33 -61.83 0.51 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.067 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -117.35 -58.4 2.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.43 1.082 . . . . 0.0 111.04 -179.908 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -55.05 130.56 42.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 0.0 109.977 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -157.01 132.88 9.49 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.85 -71.35 0.12 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.6 1.187 . . . . 0.0 110.934 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 61.0 111.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.415 0.715 . . . . 0.0 110.029 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.2 m -50.32 122.58 7.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.969 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.44 110.33 1.45 Allowed Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.65 112.27 1.55 Allowed Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.41 ' HA ' ' HE1' ' A' ' 117' ' ' MET . 18.2 Cg_endo -74.97 150.82 38.89 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.435 1.755 . . . . 0.0 110.954 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.539 ' HG2' HG22 ' A' ' 116' ' ' VAL . 4.9 tttt -93.87 128.2 40.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.1 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.3 m -117.7 146.66 43.58 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.513 1.133 . . . . 0.0 110.368 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.1 OUTLIER -141.9 129.24 20.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.35 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 24.9 m -98.98 148.35 24.07 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.373 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.683 HD22 ' CE1' ' A' ' 23' ' ' PHE . 5.4 mp -134.42 156.92 47.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.482 1.114 . . . . 0.0 109.299 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.64 ' HG2' HG22 ' A' ' 111' ' ' THR . 6.1 mttp -126.94 123.23 36.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.443 1.09 . . . . 0.0 109.348 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -47.2 111.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.261 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.2 t -119.35 125.02 48.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 110.368 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.18 -79.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.581 1.176 . . . . 0.0 109.99 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -143.95 -55.11 0.36 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 110.313 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.85 -168.43 43.95 Favored Glycine 0 CA--C 1.531 1.07 0 O-C-N 124.42 1.075 . . . . 0.0 110.999 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.552 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 15.8 m-85 -113.27 37.65 3.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 0.781 . . . . 0.0 110.922 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.46 ' CA ' ' HB2' ' A' ' 69' ' ' LYS . . . 73.59 -94.37 0.75 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.566 1.166 . . . . 0.0 110.955 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.683 ' CE1' HD22 ' A' ' 14' ' ' LEU . 18.0 p90 -48.06 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 0.79 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.552 HG22 ' CG ' ' A' ' 67' ' ' GLN . 12.7 t -141.1 162.34 35.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.609 1.193 . . . . 0.0 110.385 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.448 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.3 mm? -108.39 176.54 5.08 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.46 1.1 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -172.29 132.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.29 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -159.88 -177.09 6.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.417 1.073 . . . . 0.0 109.627 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -141.92 -47.8 0.37 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.994 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.712 HG23 ' HG2' ' A' ' 59' ' ' PRO . 9.9 mm -40.73 102.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.773 HG22 ' N ' ' A' ' 31' ' ' TYR . 1.8 p -93.79 -105.2 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.773 ' N ' HG22 ' A' ' 30' ' ' VAL . 21.6 m-85 60.58 101.87 0.04 OUTLIER Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.502 1.127 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 168.52 24.65 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.495 1.787 . . . . 0.0 110.958 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.52 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.493 1.786 . . . . 0.0 111.011 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -144.93 -70.67 0.28 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.434 1.084 . . . . 0.0 110.356 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.7 t -141.09 39.35 1.77 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.435 1.084 . . . . 0.0 109.974 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -86.48 64.12 8.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.587 1.179 . . . . 0.0 109.336 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.7 mt -102.45 -14.6 8.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 0.0 109.249 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.7 163.36 16.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -119.31 -59.69 1.81 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.45 1.094 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 72.89 153.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.421 1.076 . . . . 0.0 110.051 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.63 158.49 17.54 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.577 1.173 . . . . 0.0 110.975 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.21 149.45 50.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.603 1.189 . . . . 0.0 109.204 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -141.55 134.52 28.98 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.52 82.16 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 177.92 73.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.199 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 176.77 167.86 0.51 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -145.06 -60.16 0.02 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.537 1.148 . . . . 0.0 110.948 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 45.6 m-80 -62.86 153.44 33.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.451 0.736 . . . . 0.0 109.283 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.2 mtt180 177.08 156.2 0.29 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.388 1.055 . . . . 0.0 110.312 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 141.02 154.98 6.33 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 110.992 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -117.22 -149.17 8.95 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -171.82 60.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 0.798 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 65.65 134.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.405 1.066 . . . . 0.0 110.261 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mpp_? -148.1 135.65 20.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.142 . . . . 0.0 110.27 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 179.22 155.4 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.596 1.185 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.2 tpt180 -132.06 163.53 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -74.73 74.84 2.07 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.252 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 27.4 mt-10 -72.17 156.9 90.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.712 ' HG2' HG23 ' A' ' 29' ' ' ILE . 18.2 Cg_endo -75.09 -48.35 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.68 ' O ' HG21 ' A' ' 29' ' ' ILE . 5.4 mtm -168.37 103.52 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 111.033 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -106.39 106.14 16.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 0.0 109.354 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.4 m -145.95 154.32 41.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.57 1.169 . . . . 0.0 110.368 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.9 mp -115.93 137.42 49.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.26 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -140.92 141.33 34.54 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.415 1.072 . . . . 0.0 111.019 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.625 HG11 ' O ' ' A' ' 80' ' ' CYS . 71.7 t -67.39 149.29 11.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 109.303 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.3 tttt -119.1 -44.7 2.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.552 ' CG ' HG22 ' A' ' 24' ' ' THR . 1.1 pp0? -140.09 163.52 32.48 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.427 ' O ' ' N ' ' A' ' 70' ' ' GLU . 12.7 t -137.39 107.93 5.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.341 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.46 ' HB2' ' CA ' ' A' ' 22' ' ' GLY . 3.6 tmtt? -42.39 98.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.317 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 68' ' ' VAL . 6.8 tt0 -59.27 86.44 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 110.341 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.553 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.59 24.3 5.35 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.539 1.149 . . . . 0.0 110.949 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.22 -150.14 13.59 Favored Glycine 0 CA--C 1.529 0.936 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -68.39 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.444 1.76 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.583 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -43.29 -45.12 5.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 109.317 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.553 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 16.0 t80 -52.13 -50.87 60.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.956 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.53 -49.82 73.79 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -50.54 -23.02 2.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.359 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 96.74 21.82 20.22 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.546 1.154 . . . . 0.0 110.983 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.654 ' CD1' HG21 ' A' ' 12' ' ' VAL . 3.1 tp -70.04 163.02 27.05 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 0.779 . . . . 0.0 109.267 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.625 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER -148.5 -164.82 2.11 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.513 1.133 . . . . 0.0 108.293 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.1 m -104.29 156.9 17.52 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.307 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.96 -19.77 28.41 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -64.89 153.15 41.16 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.529 0.781 . . . . 0.0 109.307 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -124.34 135.87 53.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.242 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.565 HD12 HG12 ' A' ' 116' ' ' VAL . 1.4 mp -82.5 118.42 30.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.497 1.123 . . . . 0.0 109.377 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.739 HD12 ' HE3' ' A' ' 87' ' ' LYS . 34.5 pt -99.36 -29.9 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.739 ' HE3' HD12 ' A' ' 86' ' ' ILE . 19.7 mttt -130.17 165.46 22.3 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.599 HG12 ' CG ' ' A' ' 89' ' ' ASN . 77.2 t -155.52 117.83 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.155 . . . . 0.0 109.197 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.599 ' CG ' HG12 ' A' ' 88' ' ' VAL . 0.2 OUTLIER 39.09 57.38 1.97 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.31 179.938 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 39.96 36.4 0.82 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.023 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 88' ' ' VAL . 3.4 tm-20 -108.5 -26.53 10.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 0.765 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.27 128.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.99 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.637 HG23 ' O ' ' A' ' 93' ' ' VAL . 8.7 m -109.53 54.57 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 16.6 mm -85.08 96.91 5.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.65 -36.26 4.28 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.527 1.142 . . . . 0.0 110.909 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.3 mttm -44.34 136.96 3.81 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.486 0.756 . . . . 0.0 109.267 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.9 t -88.63 158.4 18.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.103 . . . . 0.0 110.394 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.621 ' CE1' HD11 ' A' ' 102' ' ' ILE . 14.8 t80 -40.7 -54.34 2.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.973 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 1.8 m -53.06 -44.0 67.12 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.478 1.111 . . . . 0.0 109.939 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -61.49 -65.58 0.67 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 0.0 110.258 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.456 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 18.4 m -48.02 -46.6 12.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.366 1.041 . . . . 0.0 109.287 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.621 HD11 ' CE1' ' A' ' 98' ' ' TYR . 2.4 mm -42.67 -46.09 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.455 1.097 . . . . 0.0 109.293 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.95 -46.31 85.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.562 1.164 . . . . 0.0 109.322 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 23.9 mt -51.1 -38.21 50.45 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 109.249 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.416 ' O ' ' OG ' ' A' ' 108' ' ' SER . 46.7 mt -73.84 -46.71 45.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.116 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -61.52 -27.32 68.51 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.46 1.1 . . . . 0.0 110.387 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 23.4 m-80 -101.72 8.63 41.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 109.361 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.54 ' HG ' ' HE2' ' A' ' 21' ' ' PHE . 90.6 p -60.23 -14.68 18.99 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.471 1.107 . . . . 0.0 110.055 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.475 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.1 t70 79.72 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.3 m -51.95 -59.96 3.74 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.558 1.161 . . . . 0.0 110.386 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.64 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.6 OUTLIER -92.95 165.48 12.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.364 -179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.627 HD22 ' N ' ' A' ' 113' ' ' GLU . 0.3 OUTLIER -148.88 109.97 4.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.602 1.189 . . . . 0.0 109.38 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.627 ' N ' HD22 ' A' ' 112' ' ' LEU . 28.9 tt0 -95.12 139.94 30.75 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.287 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.645 HD12 ' CD1' ' A' ' 14' ' ' LEU . 11.7 mt -128.77 176.46 7.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.318 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 2.0 m -153.5 123.8 7.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.565 HG12 HD12 ' A' ' 85' ' ' ILE . 17.6 m -124.52 176.68 5.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.413 ' HG2' ' C ' ' A' ' 116' ' ' VAL . 1.5 mmt -133.24 90.07 31.26 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.485 1.115 . . . . 0.0 111.015 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.467 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.3 Cg_endo -75.07 169.48 22.5 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.747 . . . . 0.0 111.031 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 11.5 tptt -140.2 -64.54 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.291 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -103.81 114.05 28.02 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 1.6 m -75.18 -62.46 1.55 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.034 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 72.68 121.48 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.131 . . . . 0.0 111.027 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.18 97.49 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.483 1.781 . . . . 0.0 110.913 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 20.2 p 177.35 158.21 0.37 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 55.5 p -147.24 116.33 6.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.422 1.076 . . . . 0.0 110.003 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 O-C-N 124.526 1.141 . . . . 0.0 110.969 179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.044 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 92.8 p -40.05 107.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 0.788 . . . . 0.0 110.014 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -157.52 168.64 26.73 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.517 1.135 . . . . 0.0 109.991 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.54 -105.21 0.01 OUTLIER Glycine 0 CA--C 1.529 0.916 0 O-C-N 124.464 1.103 . . . . 0.0 111.014 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -103.94 158.66 16.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.401 0.706 . . . . 0.0 110.053 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.49 98.32 8.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 110.019 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.44 93.04 0.11 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.412 1.07 . . . . 0.0 110.979 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.84 -78.99 0.03 OUTLIER Glycine 0 CA--C 1.528 0.901 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -174.27 1.88 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.413 1.744 . . . . 0.0 110.974 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.646 ' HD3' HG23 ' A' ' 116' ' ' VAL . 0.0 OUTLIER -120.62 132.42 55.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.437 1.086 . . . . 0.0 109.277 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -103.82 146.73 28.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.537 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -145.77 128.91 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.182 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.401 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 36.1 m -107.96 159.16 16.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 110.454 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.752 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.0 mp -141.1 149.24 41.33 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.481 ' CD ' HG22 ' A' ' 111' ' ' THR . 1.1 mmmm -131.92 113.68 13.73 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.447 1.092 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.1 ttt180 -43.73 112.55 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.33 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 2.9 t -121.0 -43.16 2.46 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.342 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 19.1 p -163.2 119.67 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.57 1.169 . . . . 0.0 109.899 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLY . 0.6 OUTLIER 63.82 -172.97 0.17 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.47 1.106 . . . . 0.0 110.427 -179.936 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLN . . . -36.43 -83.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.456 ' CZ ' ' HB3' ' A' ' 112' ' ' LEU . 17.5 m-85 -164.15 -172.84 2.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 0.793 . . . . 0.0 110.966 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.427 ' CA ' ' HD2' ' A' ' 73' ' ' PRO . . . -80.28 6.03 61.64 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.821 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 5.3 p90 -145.48 172.77 12.72 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.436 0.727 . . . . 0.0 111.104 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.573 HG23 ' HB3' ' A' ' 66' ' ' LYS . 0.6 OUTLIER -156.64 157.6 35.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.521 1.138 . . . . 0.0 110.412 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -107.51 179.23 4.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.259 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.06 127.64 56.27 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.445 1.091 . . . . 0.0 110.33 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -110.82 133.39 53.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.651 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.63 -150.48 0.07 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.58 1.175 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.501 HG22 ' CE2' ' A' ' 31' ' ' TYR . 3.1 mt 52.7 92.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.252 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.24 151.37 4.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.501 ' CE2' HG22 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -140.06 95.34 8.52 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.638 1.211 . . . . 0.0 111.064 179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.403 ' HA ' ' HD3' ' A' ' 33' ' ' PRO . 18.2 Cg_endo -74.98 155.72 43.01 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.524 1.802 . . . . 0.0 110.996 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 32' ' ' PRO . 18.6 Cg_endo -74.94 -62.45 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.471 1.774 . . . . 0.0 110.989 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -174.25 -52.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.372 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.0 t -127.53 -53.61 1.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 109.994 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.47 105.91 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 24.4 mm -59.63 124.2 13.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.396 1.06 . . . . 0.0 109.355 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -65.71 146.23 55.04 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.444 1.09 . . . . 0.0 110.329 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 11.6 t80 -108.33 129.67 55.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 111.021 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.418 ' HB3' ' CE2' ' A' ' 41' ' ' TYR . 23.2 t -113.76 172.44 6.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.535 1.147 . . . . 0.0 109.976 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.418 ' CE2' ' HB3' ' A' ' 40' ' ' SER . 0.5 OUTLIER 39.59 -156.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.527 1.142 . . . . 0.0 111.018 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 40.0 74.14 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.349 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.2 t0 175.53 139.18 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.385 1.053 . . . . 0.0 109.345 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -124.76 107.73 11.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.558 1.161 . . . . 0.0 110.214 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 10.9 pm0 41.6 -162.34 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.414 1.071 . . . . 0.0 110.259 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.3 p30 178.14 177.48 0.41 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.461 1.101 . . . . 0.0 109.393 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.53 -136.18 0.09 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.593 1.183 . . . . 0.0 110.934 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 -171.92 139.88 1.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.499 0.764 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -171.12 142.41 1.79 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.265 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -46.25 124.94 7.99 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.436 1.085 . . . . 0.0 111.005 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -143.37 56.52 0.56 Allowed Glycine 0 CA--C 1.531 1.037 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mttt -123.75 89.31 3.07 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.516 0.774 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 55' ' ' ASN . 2.8 mt-30 -116.11 92.69 3.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 110.305 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.469 ' O ' ' CB ' ' A' ' 55' ' ' ASN . 0.0 OUTLIER 64.06 -76.62 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.42 1.075 . . . . 0.0 110.246 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.469 ' CB ' ' O ' ' A' ' 54' ' ' ARG . 0.9 OUTLIER 79.1 155.26 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.267 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -95.79 -164.74 1.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.501 ' N ' HD12 ' A' ' 57' ' ' LEU . 5.5 mp -83.41 70.49 10.21 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.412 ' HB2' ' HD2' ' A' ' 59' ' ' PRO . 7.1 pt-20 -42.97 165.4 0.11 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.581 1.176 . . . . 0.0 110.238 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.412 ' HD2' ' HB2' ' A' ' 58' ' ' GLU . 18.3 Cg_endo -74.98 -65.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.439 1.757 . . . . 0.0 110.96 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 73.4 88.27 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.41 1.068 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.402 ' HB2' HD13 ' A' ' 29' ' ' ILE . 25.3 t0 -112.13 168.35 9.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.531 ' HB ' ' CE2' ' A' ' 64' ' ' PHE . 0.7 OUTLIER -80.14 170.68 16.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 110.326 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.491 HG21 HG12 ' A' ' 85' ' ' ILE . 0.8 OUTLIER -86.05 -64.69 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.445 1.091 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.531 ' CE2' ' HB ' ' A' ' 62' ' ' THR . 15.5 m-85 55.52 112.13 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.406 1.066 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.565 HG23 ' O ' ' A' ' 83' ' ' ASP . 29.1 t -54.74 132.38 17.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.308 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.573 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -75.49 -62.01 1.72 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.608 1.192 . . . . 0.0 109.32 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -151.14 178.5 9.15 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.456 1.097 . . . . 0.0 110.257 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.7 t -139.74 131.14 33.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 15.0 tptt -76.39 136.34 39.49 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.529 1.143 . . . . 0.0 109.239 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.99 94.88 7.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.454 1.096 . . . . 0.0 110.327 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 117.4 37.51 0.92 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.52 1.138 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -123.56 -168.93 13.11 Favored Glycine 0 CA--C 1.529 0.927 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 22' ' ' GLY . 18.3 Cg_endo -74.98 -54.13 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.425 1.75 . . . . 0.0 111.045 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.752 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -50.87 -58.81 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -40.88 -50.4 3.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.558 1.162 . . . . 0.0 110.924 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.4 mm-40 -62.84 -54.82 32.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.274 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.422 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -40.5 -32.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.301 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 118.43 9.54 9.33 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.553 1.158 . . . . 0.0 111.014 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.537 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.4 tp -66.74 160.75 25.08 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 0.768 . . . . 0.0 109.297 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.55 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.3 OUTLIER -157.81 -162.05 1.12 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.545 1.153 . . . . 0.0 108.29 179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.0 p -102.75 130.86 49.84 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.448 1.092 . . . . 0.0 110.344 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.17 -27.63 11.47 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.565 ' O ' HG23 ' A' ' 65' ' ' VAL . 20.1 m-20 -67.15 122.8 18.62 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.28 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.448 ' O ' HG12 ' A' ' 116' ' ' VAL . 8.1 ptp180 -94.32 151.24 19.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.513 HD13 HG12 ' A' ' 116' ' ' VAL . 17.4 mm -88.02 138.0 19.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.253 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.712 ' O ' HG22 ' A' ' 93' ' ' VAL . 10.3 pt -117.39 -35.06 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.534 1.146 . . . . 0.0 109.337 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.449 ' HE3' ' CG1' ' A' ' 86' ' ' ILE . 1.4 mttt -134.37 163.9 28.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.418 ' O ' ' N ' ' A' ' 91' ' ' GLU . 77.3 t -148.21 124.9 2.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.265 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 45.18 27.61 0.34 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 0.0 109.278 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 62.15 39.24 97.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 88' ' ' VAL . 0.2 OUTLIER -102.19 -6.01 23.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.556 0.798 . . . . 0.0 110.351 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.6 t 58.27 98.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 0.0 109.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.712 HG22 ' O ' ' A' ' 86' ' ' ILE . 11.4 m -99.27 26.8 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 109.229 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 32.7 mm -62.82 -33.18 58.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 109.289 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -121.99 36.6 3.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.425 1.078 . . . . 0.0 110.979 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mttp -122.95 155.39 36.86 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.425 0.721 . . . . 0.0 109.313 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.56 168.04 9.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.407 1.067 . . . . 0.0 110.391 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.596 ' CZ ' HD11 ' A' ' 102' ' ' ILE . 55.4 t80 -49.62 -61.42 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.409 1.068 . . . . 0.0 110.929 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -45.22 -34.91 3.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.416 1.073 . . . . 0.0 110.028 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -69.68 -72.24 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.454 1.096 . . . . 0.0 110.217 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.661 HG12 ' CG1' ' A' ' 93' ' ' VAL . 33.6 m -47.18 -38.96 5.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.225 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.596 HD11 ' CZ ' ' A' ' 98' ' ' TYR . 8.3 mm -47.52 -54.88 2.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -58.51 -44.24 89.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.424 1.077 . . . . 0.0 109.252 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.3 mt -52.98 -37.31 61.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.286 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 36.0 mt -74.69 -46.72 41.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.394 1.059 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -64.44 -24.48 67.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 103' ' ' ALA . 31.7 m-80 -113.97 25.53 11.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.345 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.613 ' OG ' HD23 ' A' ' 112' ' ' LEU . 3.3 m -78.23 -12.53 60.0 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.121 . . . . 0.0 109.925 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.416 ' O ' ' C ' ' A' ' 110' ' ' THR . 10.8 t70 75.37 -175.67 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.306 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.416 ' C ' ' O ' ' A' ' 109' ' ' ASP . 26.3 m -37.66 -61.2 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.448 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.481 HG22 ' CD ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -86.52 162.87 17.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.406 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.613 HD23 ' OG ' ' A' ' 108' ' ' SER . 0.4 OUTLIER -159.93 109.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.568 ' N ' HD22 ' A' ' 112' ' ' LEU . 31.1 tt0 -90.18 131.07 36.21 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.444 1.09 . . . . 0.0 110.393 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.821 HD11 ' CZ ' ' A' ' 23' ' ' PHE . 34.5 mt -114.23 166.17 11.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.354 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 1.1 m -143.95 127.4 16.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.568 1.168 . . . . 0.0 109.977 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.68 HG23 ' HD3' ' A' ' 118' ' ' PRO . 35.4 m -135.09 -167.85 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.437 1.086 . . . . 0.0 109.204 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.595 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -163.98 54.07 0.38 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.977 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.68 ' HD3' HG23 ' A' ' 116' ' ' VAL . 17.8 Cg_endo -75.09 -172.46 1.27 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.486 1.782 . . . . 0.0 110.998 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.445 ' HG2' ' N ' ' A' ' 120' ' ' ASP . 10.4 tttt -154.73 -76.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.582 1.176 . . . . 0.0 109.333 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.445 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 4.1 t0 -60.06 99.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.211 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -116.93 167.59 11.0 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 110.062 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 151.99 111.71 0.5 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.481 1.113 . . . . 0.0 111.036 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 159.32 41.17 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.52 1.8 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -148.05 160.25 43.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.96 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 59.2 154.26 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.027 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.505 1.128 . . . . 0.0 110.932 -179.918 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 54.36 92.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.585 0.815 . . . . 0.0 110.005 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -175.22 161.05 2.77 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.473 1.108 . . . . 0.0 109.949 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.17 179.54 45.45 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.11 168.74 6.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.402 0.707 . . . . 0.0 109.986 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.57 160.6 34.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.997 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 133.12 98.15 0.66 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.483 1.114 . . . . 0.0 111.032 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 133.21 -59.46 0.68 Allowed Glycine 0 CA--C 1.531 1.039 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -165.29 0.28 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.501 1.79 . . . . 0.0 110.974 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HG2' HG23 ' A' ' 116' ' ' VAL . 14.0 tptt -132.35 142.46 49.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 95.0 m -127.97 139.79 52.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.342 1.026 . . . . 0.0 110.409 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.573 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -143.65 122.79 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 0.0 109.293 -179.949 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.458 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 32.9 m -96.99 158.04 15.62 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.704 HD11 HD12 ' A' ' 114' ' ' LEU . 4.0 mp -144.38 164.04 31.98 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.422 1.076 . . . . 0.0 109.212 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.633 ' O ' HG23 ' A' ' 17' ' ' THR . 13.6 mttt -123.85 129.78 51.56 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.268 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.507 ' HA ' ' CZ ' ' A' ' 21' ' ' PHE . 11.0 ttt180 -45.12 112.2 0.41 Allowed 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.543 1.152 . . . . 0.0 110.235 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.633 HG23 ' O ' ' A' ' 15' ' ' LYS . 2.5 p -127.55 -170.13 2.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 17' ' ' THR . 0.4 OUTLIER -52.91 -173.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.953 -179.919 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -49.19 103.03 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.261 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 99.77 135.67 9.02 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.645 ' CE2' ' CB ' ' A' ' 112' ' ' LEU . 10.2 m-85 -90.57 41.29 1.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 0.764 . . . . 0.0 111.055 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' O ' ' HA ' ' A' ' 68' ' ' VAL . . . 82.08 11.68 82.09 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.511 1.132 . . . . 0.0 111.031 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.584 ' HE2' HD11 ' A' ' 25' ' ' LEU . 1.2 p90 -168.22 170.39 10.17 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 0.761 . . . . 0.0 110.972 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.693 HG22 ' HG2' ' A' ' 67' ' ' GLN . 2.5 t -144.88 162.21 37.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 1.168 . . . . 0.0 110.329 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.584 HD11 ' HE2' ' A' ' 23' ' ' PHE . 1.9 mm? -109.72 179.36 4.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.106 . . . . 0.0 109.334 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -150.41 176.54 10.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.47 1.106 . . . . 0.0 110.326 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 68.51 119.3 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 1.096 . . . . 0.0 109.572 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.424 ' O ' HG13 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -125.54 28.62 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 111.009 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.521 HG22 ' HE1' ' A' ' 31' ' ' TYR . 6.6 mt -72.45 87.37 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.691 HG23 ' HD3' ' A' ' 32' ' ' PRO . 4.7 m -96.35 169.49 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.535 1.147 . . . . 0.0 109.277 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.593 ' CD1' ' O ' ' A' ' 30' ' ' VAL . 12.9 m-85 -153.95 60.06 2.81 Favored Pre-proline 0 C--N 1.327 -0.401 0 O-C-N 124.567 1.167 . . . . 0.0 110.875 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.691 ' HD3' HG23 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -75.03 165.51 31.13 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -166.86 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.216 0 O-C-N 124.436 1.756 . . . . 0.0 110.897 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.1 -60.83 2.2 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.349 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 t -127.28 -57.63 1.29 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.996 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . 55.01 173.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 109.242 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 mt -87.56 135.31 25.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.441 1.088 . . . . 0.0 109.338 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -52.54 -48.63 65.97 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.121 . . . . 0.0 110.199 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.4 t80 -177.76 157.68 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 111.063 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.0 p -170.01 96.1 0.27 Allowed 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.53 1.144 . . . . 0.0 110.045 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 42' ' ' LYS . 41.7 t80 -169.56 151.34 4.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.448 1.093 . . . . 0.0 111.01 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.482 ' O ' ' CD2' ' A' ' 41' ' ' TYR . 1.7 mptt -82.83 -175.33 5.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -113.53 -61.17 1.78 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.469 1.105 . . . . 0.0 109.255 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -110.69 -74.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.416 1.073 . . . . 0.0 110.215 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -52.46 130.88 32.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 110.257 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 59.22 169.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.263 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.2 99.51 0.2 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.574 1.171 . . . . 0.0 111.001 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 39.0 t30 179.51 92.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 0.797 . . . . 0.0 109.31 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.88 170.57 15.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.117 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -179.33 168.43 39.07 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.482 1.114 . . . . 0.0 111.04 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 53' ' ' GLN . . . -176.1 -71.19 0.05 OUTLIER Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mptt 64.67 -80.18 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.45 0.735 . . . . 0.0 109.327 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 51' ' ' GLY . 38.3 mt-30 60.81 175.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.512 1.133 . . . . 0.0 110.39 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.2 mtt180 63.45 170.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 0.0 110.231 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -127.84 101.74 6.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.133 . . . . 0.0 109.34 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.463 ' CD ' ' N ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -179.2 141.49 0.17 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.473 1.108 . . . . 0.0 110.282 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.0 mp -112.13 23.04 14.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 67.59 164.58 0.13 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.262 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.559 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.89 -47.69 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.466 1.772 . . . . 0.0 111.033 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 1.5 mtt -145.07 -64.38 0.34 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 32.1 t0 54.45 29.12 10.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.3 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.822 HG21 ' CZ ' ' A' ' 64' ' ' PHE . 29.9 m -91.42 161.84 14.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.583 1.177 . . . . 0.0 110.39 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.666 HG22 HG12 ' A' ' 85' ' ' ILE . 2.7 mp -127.67 77.09 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.371 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.822 ' CZ ' HG21 ' A' ' 62' ' ' THR . 71.2 m-85 -84.33 124.96 31.84 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.519 1.137 . . . . 0.0 111.009 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 83' ' ' ASP . 41.4 t -54.4 123.69 5.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.585 1.178 . . . . 0.0 109.393 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.615 ' HB3' HG23 ' A' ' 24' ' ' THR . 8.9 tptt -77.29 -55.15 5.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.693 ' HG2' HG22 ' A' ' 24' ' ' THR . 2.5 pt20 -149.5 -179.64 7.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 110.295 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 67' ' ' GLN . 18.9 t -145.8 110.56 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.41 1.069 . . . . 0.0 109.275 -179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 4.5 tttm -46.22 170.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -114.92 88.29 2.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.57 1.169 . . . . 0.0 110.293 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 115.01 29.85 2.47 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.533 1.146 . . . . 0.0 110.978 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -109.47 -167.33 20.24 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.94 -0.864 . . . . 0.0 110.94 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.84 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.493 1.786 . . . . 0.0 111.07 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.42 ' CB ' ' HB3' ' A' ' 23' ' ' PHE . . . -57.73 -44.96 86.37 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.57 1.169 . . . . 0.0 109.293 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -57.22 -44.54 83.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.428 1.08 . . . . 0.0 111.036 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.433 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.6 mm-40 -71.67 -49.4 40.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.28 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -43.15 -27.89 0.25 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.433 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 108.92 11.67 22.15 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.473 1.108 . . . . 0.0 111.039 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.573 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.8 tp -64.5 -176.14 0.22 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 0.724 . . . . 0.0 109.378 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.832 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -178.29 -161.46 0.05 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.563 1.164 . . . . 0.0 108.268 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -103.75 133.16 49.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.418 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 110.32 -27.17 11.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.507 1.129 . . . . 0.0 110.97 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.839 ' O ' HG23 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -69.68 117.82 11.77 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.575 0.809 . . . . 0.0 109.226 -179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.414 ' HA ' ' O ' ' A' ' 63' ' ' ILE . 0.1 OUTLIER -93.71 149.29 21.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.424 1.077 . . . . 0.0 110.307 -180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.666 HG12 HG22 ' A' ' 63' ' ' ILE . 10.6 mm -87.62 145.01 8.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.236 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.526 HD12 ' HE3' ' A' ' 87' ' ' LYS . 8.1 pt -122.48 -42.45 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.602 1.189 . . . . 0.0 109.31 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.526 ' HE3' HD12 ' A' ' 86' ' ' ILE . 1.1 mttt -128.45 163.09 25.66 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 94.7 t -143.11 125.48 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . . . . . . . . . 38.2 m-20 48.2 24.85 0.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.592 1.183 . . . . 0.0 109.366 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.56 32.42 83.21 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.583 1.177 . . . . 0.0 111.008 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -98.54 -27.51 14.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 110.324 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 7.1 m 73.5 138.88 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.546 1.154 . . . . 0.0 109.993 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.974 HG12 HG11 ' A' ' 101' ' ' VAL . 5.1 m -90.66 41.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.606 1.191 . . . . 0.0 109.292 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -73.21 101.18 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.431 1.082 . . . . 0.0 109.171 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 90.67 -29.74 6.59 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.532 1.145 . . . . 0.0 110.937 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.5 mttp -44.39 161.18 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.348 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.7 HG23 ' O ' ' A' ' 97' ' ' THR . 13.9 t -131.17 59.86 1.67 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 110.355 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.588 ' O ' HG22 ' A' ' 101' ' ' VAL . 9.8 t80 56.68 -78.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.139 . . . . 0.0 111.024 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.535 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -37.35 -31.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.065 179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.3 mt-30 -64.95 -62.86 1.31 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.564 1.165 . . . . 0.0 110.269 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.974 HG11 HG12 ' A' ' 93' ' ' VAL . 8.5 m -53.22 -37.17 27.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.498 1.124 . . . . 0.0 109.415 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.488 ' HA ' HD13 ' A' ' 102' ' ' ILE . 12.1 mm -48.64 -50.3 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.446 1.091 . . . . 0.0 109.324 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.44 74.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.5 mt -51.54 -41.88 61.39 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.275 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.6 mt -66.42 -47.27 84.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.102 . . . . 0.0 109.256 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -59.58 -40.22 86.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.435 1.084 . . . . 0.0 110.302 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -99.96 22.91 10.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.373 1.045 . . . . 0.0 109.301 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.485 ' CB ' HD23 ' A' ' 112' ' ' LEU . 47.3 p -51.22 -22.32 2.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.565 1.166 . . . . 0.0 109.96 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' SER . 10.5 t0 80.58 -151.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.428 1.08 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 54.3 m -42.77 -61.29 1.3 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.45 1.093 . . . . 0.0 110.355 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.52 HG22 ' HA ' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -116.54 170.29 8.68 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.505 1.128 . . . . 0.0 110.367 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.645 ' CB ' ' CE2' ' A' ' 21' ' ' PHE . 0.4 OUTLIER -134.8 113.05 11.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.406 1.066 . . . . 0.0 109.304 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.54 ' N ' HD22 ' A' ' 112' ' ' LEU . 11.9 tt0 -94.1 134.15 36.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.704 HD12 HD11 ' A' ' 14' ' ' LEU . 32.1 mt -119.76 159.97 23.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.4 ' CB ' ' HB2' ' A' ' 87' ' ' LYS . 0.6 OUTLIER -134.74 122.97 22.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.626 HG23 ' HD3' ' A' ' 118' ' ' PRO . 27.6 m -129.34 -166.27 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.288 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.57 ' N ' ' HD3' ' A' ' 118' ' ' PRO . 0.0 OUTLIER -165.82 55.24 0.37 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.589 1.18 . . . . 0.0 110.978 -179.874 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.626 ' HD3' HG23 ' A' ' 116' ' ' VAL . 18.1 Cg_endo -75.03 169.47 22.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 13.3 tptt -141.59 -62.23 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.209 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -51.33 120.29 4.9 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.254 -179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -101.08 172.79 6.8 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.482 1.114 . . . . 0.0 109.98 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -159.21 151.07 21.9 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 142.87 28.43 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.466 1.772 . . . . 0.0 110.94 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 70.8 m -94.42 101.67 13.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.636 1.21 . . . . 0.0 110.03 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.5 p -73.32 167.58 20.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.512 1.133 . . . . 0.0 110.015 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 O-C-N 124.564 1.165 . . . . 0.0 110.934 -179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.969 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.1 m -99.05 80.15 2.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 0.761 . . . . 0.0 109.96 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.6 p -167.12 128.01 1.56 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 110.043 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.05 93.65 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.9 t -163.81 139.63 6.46 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 0.767 . . . . 0.0 110.031 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 48.3 t -164.99 152.41 11.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.006 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.87 126.58 2.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.543 1.152 . . . . 0.0 111.043 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 119.53 -90.19 0.47 Allowed Glycine 0 CA--C 1.53 1.015 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 163.32 35.7 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.48 1.779 . . . . 0.0 111.003 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.5 tptt -122.13 143.32 49.61 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.457 1.098 . . . . 0.0 109.308 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.0 m -129.89 138.06 50.73 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.648 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.5 OUTLIER -141.25 136.73 33.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.444 1.09 . . . . 0.0 109.242 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 34.2 m -108.21 154.64 21.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 110.328 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.685 HD21 ' HB2' ' A' ' 74' ' ' ALA . 4.6 mp -137.56 151.59 48.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.368 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 14.5 mttt -132.6 114.09 13.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.409 1.068 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 ttt180 -39.2 113.2 0.3 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 110.267 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.478 HG23 ' O ' ' A' ' 17' ' ' THR . 5.7 t -152.8 28.66 0.53 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.466 1.104 . . . . 0.0 110.474 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.8 p -172.08 -172.14 0.94 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 110.076 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.72 -57.97 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.566 1.166 . . . . 0.0 110.371 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -115.03 -62.19 0.38 Allowed Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.51 1.131 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.511 ' CZ ' ' HB2' ' A' ' 112' ' ' LEU . 6.2 m-85 -166.9 -77.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.564 0.802 . . . . 0.0 110.984 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.724 ' O ' ' HB3' ' A' ' 74' ' ' ALA . . . 174.87 37.71 0.05 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.57 ' CZ ' HD11 ' A' ' 114' ' ' LEU . 38.2 p90 -177.37 -177.04 0.67 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.518 0.775 . . . . 0.0 110.927 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.607 HG23 ' HB3' ' A' ' 66' ' ' LYS . 8.9 t -158.49 162.27 37.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 110.381 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.83 HD12 ' CG2' ' A' ' 63' ' ' ILE . 1.6 mm? -115.4 177.52 4.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 0.2 OUTLIER -137.97 151.07 47.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.29 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.561 ' CG ' ' N ' ' A' ' 28' ' ' PHE . 1.6 t-80 163.17 168.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.607 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.757 ' O ' HG23 ' A' ' 30' ' ' VAL . 1.4 t80 173.52 -33.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.401 HG22 ' CE1' ' A' ' 31' ' ' TYR . 4.3 mt -53.51 95.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.957 HG12 ' HD3' ' A' ' 32' ' ' PRO . 98.8 t -89.54 144.15 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.53 1.144 . . . . 0.0 109.367 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.588 ' CD1' ' HG3' ' A' ' 59' ' ' PRO . 2.7 m-85 -126.94 65.94 65.13 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 111.022 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.957 ' HD3' HG12 ' A' ' 30' ' ' VAL . 18.4 Cg_endo -75.01 164.52 33.18 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.505 ' O ' ' N ' ' A' ' 35' ' ' SER . 18.4 Cg_endo -74.93 52.85 3.14 Favored 'Trans proline' 0 C--N 1.361 1.231 0 O-C-N 124.58 1.832 . . . . 0.0 111.006 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 14.7 mt-10 61.44 -75.79 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.212 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.505 ' N ' ' O ' ' A' ' 33' ' ' PRO . 21.5 t -121.93 128.13 51.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 35' ' ' SER . . . 177.96 171.15 0.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.562 1.163 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 30.0 mm -51.21 132.07 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.548 1.155 . . . . 0.0 109.377 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.4 tt0 -57.15 -44.58 83.56 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.475 1.11 . . . . 0.0 110.316 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.1 t80 -178.83 125.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 111.086 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.75 109.32 13.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.437 1.086 . . . . 0.0 109.942 -179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -99.59 135.56 40.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.108 . . . . 0.0 111.012 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.33 -61.15 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.408 1.068 . . . . 0.0 109.332 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -178.75 -54.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.553 1.158 . . . . 0.0 109.307 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -114.82 101.07 8.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.48 1.112 . . . . 0.0 110.353 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.49 127.87 33.85 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.514 1.133 . . . . 0.0 110.241 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -153.04 118.84 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -43.14 164.21 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.56 1.162 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 1.1 t30 176.34 -55.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 0.778 . . . . 0.0 109.369 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.0 169.54 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.575 1.172 . . . . 0.0 110.345 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -125.75 -105.33 1.49 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.541 1.15 . . . . 0.0 110.967 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 171.76 176.55 40.79 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 14.9 mttt -131.25 -65.55 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.564 0.803 . . . . 0.0 109.328 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 10.8 mp0 -55.76 165.61 0.86 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.491 ' HD2' HD12 ' A' ' 57' ' ' LEU . 16.3 ttp-105 -179.62 135.42 0.12 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -116.62 -51.45 2.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -148.71 45.57 1.02 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.581 1.176 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.491 HD12 ' HD2' ' A' ' 54' ' ' ARG . 8.1 mp 67.34 72.49 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.582 1.176 . . . . 0.0 109.321 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 57' ' ' LEU . 21.6 mt-10 56.45 163.1 0.07 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.496 1.123 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.588 ' HG3' ' CD1' ' A' ' 31' ' ' TYR . 18.3 Cg_endo -74.99 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.466 1.772 . . . . 0.0 111.004 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . 0.482 ' O ' ' CG ' ' A' ' 60' ' ' MET . 4.3 ptp -87.81 72.9 9.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 111.045 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 -60.02 84.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.53 ' CB ' ' CE2' ' A' ' 64' ' ' PHE . 1.5 p -123.5 167.35 14.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 110.465 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.83 ' CG2' HD12 ' A' ' 25' ' ' LEU . 1.1 mp -107.33 -63.95 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 109.3 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.53 ' CE2' ' CB ' ' A' ' 62' ' ' THR . 25.3 m-85 57.72 117.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 110.989 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 83' ' ' ASP . 44.4 t -71.81 125.98 31.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.607 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -80.62 -57.11 3.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.549 1.156 . . . . 0.0 109.268 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.57 ' HA ' HG22 ' A' ' 81' ' ' THR . 23.0 mt-30 -135.73 176.43 8.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.128 . . . . 0.0 110.29 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 67' ' ' GLN . 4.0 t -154.48 113.46 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -39.86 136.53 1.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.158 . . . . 0.0 109.294 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -90.37 98.25 11.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.083 . . . . 0.0 110.306 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . . . . . . . . . . . 105.47 33.17 3.7 Favored Glycine 0 CA--C 1.533 1.177 0 O-C-N 124.435 1.085 . . . . 0.0 110.905 179.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.25 -157.91 10.5 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.405 ' O ' ' C ' ' A' ' 74' ' ' ALA . 18.1 Cg_endo -75.18 -66.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.496 1.788 . . . . 0.0 110.921 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 22' ' ' GLY . . . -40.19 -46.98 2.34 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 23.0 t80 -54.07 -55.9 23.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.558 1.161 . . . . 0.0 111.056 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 78' ' ' GLY . 2.9 mm-40 -65.27 -45.34 84.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.371 1.045 . . . . 0.0 110.327 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.637 ' O ' HG12 ' A' ' 12' ' ' VAL . . . -45.23 -26.67 0.52 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.4 1.062 . . . . 0.0 109.247 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.418 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 110.91 6.58 26.21 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.475 1.109 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.648 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.3 tp -68.37 -177.07 0.84 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 0.757 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.527 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.1 OUTLIER 179.36 -165.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 108.297 179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.57 HG22 ' HA ' ' A' ' 67' ' ' GLN . 51.9 p -103.27 134.11 47.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.431 1.082 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 107.99 -40.86 2.38 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.647 ' O ' HG23 ' A' ' 65' ' ' VAL . 45.6 m-20 -51.89 129.18 26.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 0.745 . . . . 0.0 109.219 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.437 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 24.3 ptt-85 -93.9 146.0 24.22 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.48 1.112 . . . . 0.0 110.255 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.65 HD13 HG12 ' A' ' 116' ' ' VAL . 30.0 mm -83.73 132.95 30.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 0.823 HD12 ' HE3' ' A' ' 87' ' ' LYS . 41.1 pt -111.08 -35.58 2.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.823 ' HE3' HD12 ' A' ' 86' ' ' ILE . 4.9 mttt -135.99 165.44 25.66 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.558 1.161 . . . . 0.0 109.297 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.422 HG23 ' C ' ' A' ' 87' ' ' LYS . 74.8 t -154.01 118.2 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.458 ' OD1' ' CD2' ' A' ' 112' ' ' LEU . 3.0 m-20 48.31 34.08 4.31 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.459 1.099 . . . . 0.0 109.257 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.01 29.01 74.26 Favored Glycine 0 CA--C 1.529 0.937 0 O-C-N 124.547 1.154 . . . . 0.0 111.091 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.443 ' CB ' HD13 ' A' ' 104' ' ' LEU . 0.8 OUTLIER -112.82 90.68 3.41 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.55 0.794 . . . . 0.0 110.326 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.41 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . 17.7 m -38.65 115.42 0.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.393 1.058 . . . . 0.0 110.049 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.628 HG23 ' O ' ' A' ' 93' ' ' VAL . 12.1 m -78.43 55.75 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.552 1.157 . . . . 0.0 109.375 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 10.4 mm -108.24 126.62 64.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 77.4 13.99 82.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.584 1.178 . . . . 0.0 111.055 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.739 ' HE2' HD11 ' A' ' 104' ' ' LEU . 53.5 mttp -97.43 158.96 15.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.562 0.801 . . . . 0.0 109.318 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.715 HG23 ' O ' ' A' ' 97' ' ' THR . 12.4 t -119.25 60.93 0.82 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 110.415 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.763 ' O ' HG22 ' A' ' 101' ' ' VAL . 13.3 t80 56.15 -80.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 111.012 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . 0.522 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.9 OUTLIER -37.43 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.46 1.1 . . . . 0.0 110.035 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.5 mm-40 -62.53 -55.86 23.39 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.428 1.08 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.763 HG22 ' O ' ' A' ' 98' ' ' TYR . 28.2 m -62.13 -29.66 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.434 HD13 ' HA ' ' A' ' 102' ' ' ILE . 16.8 mm -58.82 -48.35 86.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.549 1.156 . . . . 0.0 109.334 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.422 ' O ' ' N ' ' A' ' 107' ' ' ASN . . . -57.45 -31.64 66.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.739 HD11 ' HE2' ' A' ' 96' ' ' LYS . 26.1 mt -66.76 -33.86 76.56 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.735 HG23 ' HG ' ' A' ' 112' ' ' LEU . 7.2 mt -78.65 -34.52 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.202 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -80.44 -26.67 38.24 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.244 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . 0.552 ' C ' ' OD1' ' A' ' 107' ' ' ASN . 35.9 p30 -98.45 1.45 46.78 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.542 ' OG ' HD23 ' A' ' 112' ' ' LEU . 0.2 OUTLIER -69.42 -12.69 61.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.132 . . . . 0.0 110.028 180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.48 ' CB ' ' O ' ' A' ' 108' ' ' SER . 1.4 t70 81.18 -152.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.227 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 23.6 m -55.01 -61.45 2.3 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.458 1.099 . . . . 0.0 110.401 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.13 165.46 23.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.409 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.735 ' HG ' HG23 ' A' ' 105' ' ' ILE . 1.5 tm? -160.48 114.53 2.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 109.386 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.468 ' N ' HD22 ' A' ' 112' ' ' LEU . 25.7 tt0 -96.23 138.07 34.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.675 HD12 HD11 ' A' ' 14' ' ' LEU . 27.0 mt -125.49 174.88 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.423 1.077 . . . . 0.0 109.351 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -157.61 123.86 4.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.65 HG12 HD13 ' A' ' 85' ' ' ILE . 34.2 m -117.92 -178.78 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.604 ' HG2' HD13 ' A' ' 86' ' ' ILE . 0.0 OUTLIER -126.41 98.0 33.0 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 111.009 179.927 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 167.81 26.17 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.96 -51.02 0.54 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 109.293 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -146.57 -55.48 0.26 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.333 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 59.3 p -44.21 163.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.151 . . . . 0.0 110.01 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 114.36 89.21 1.67 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 0.0 110.919 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 151.03 38.61 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.44 1.758 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.99 -23.18 11.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.036 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 2.8 m -143.23 135.67 27.31 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.547 1.154 . . . . 0.0 110.006 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.942 0 O-C-N 124.557 1.16 . . . . 0.0 111.062 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.065 -0.814 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.76 79.19 0.25 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 0.782 . . . . 0.0 110.041 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.1 m -156.67 115.62 3.39 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.001 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -127.27 125.23 5.22 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.488 1.117 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -107.39 89.49 3.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.581 0.812 . . . . 0.0 109.988 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.87 -56.57 2.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 110.01 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.84 123.54 6.32 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.111 . . . . 0.0 110.986 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 108.89 -142.48 16.12 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 110.97 -0.852 . . . . 0.0 110.97 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.42 ' HA ' ' CE ' ' A' ' 117' ' ' MET . 18.4 Cg_endo -74.95 131.62 14.56 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.495 1.787 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.564 ' HG2' HG22 ' A' ' 116' ' ' VAL . 0.2 OUTLIER -92.61 136.25 33.38 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.489 1.118 . . . . 0.0 109.221 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 55.7 m -113.35 145.83 40.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.608 1.193 . . . . 0.0 110.405 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.541 HG21 ' CD1' ' A' ' 79' ' ' LEU . 0.0 OUTLIER -137.49 119.86 19.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.23 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 87.2 m -91.51 139.72 30.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.487 1.117 . . . . 0.0 110.376 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 74' ' ' ALA . 5.4 mp -124.13 164.25 19.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.352 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.838 ' HG2' HG22 ' A' ' 111' ' ' THR . 44.1 mttt -133.83 113.3 12.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.619 1.199 . . . . 0.0 109.316 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.563 ' HG3' ' CE1' ' A' ' 21' ' ' PHE . 5.9 ttm-85 -53.53 123.74 12.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.553 1.158 . . . . 0.0 110.331 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.43 HG23 ' O ' ' A' ' 15' ' ' LYS . 40.9 p -105.89 -28.19 10.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.583 1.177 . . . . 0.0 110.376 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.23 -177.51 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.511 1.132 . . . . 0.0 109.994 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -41.33 115.2 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.401 1.063 . . . . 0.0 110.201 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.4 105.5 0.11 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.57 1.169 . . . . 0.0 111.04 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 112' ' ' LEU . 7.0 m-85 -52.8 159.17 1.17 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 0.786 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 21' ' ' PHE . . . -36.65 -92.16 0.01 OUTLIER Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.43 1.081 . . . . 0.0 110.909 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.484 ' HB3' ' CB ' ' A' ' 74' ' ' ALA . 9.4 p90 -43.9 167.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 0.774 . . . . 0.0 111.028 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.743 HG23 ' HB3' ' A' ' 66' ' ' LYS . 1.2 t -141.47 164.97 28.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 110.419 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -110.83 166.1 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.27 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -150.86 156.22 40.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 110.323 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 47.4 m-70 67.52 111.98 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.57 1.169 . . . . 0.0 109.675 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . . . . . . . . . 14.8 p90 -160.63 167.5 26.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.973 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.74 167.99 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.626 ' O ' ' CD1' ' A' ' 31' ' ' TYR . 2.1 t -143.85 137.52 24.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.545 1.153 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.626 ' CD1' ' O ' ' A' ' 30' ' ' VAL . 58.1 m-85 -158.06 75.09 3.85 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.981 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.476 ' HD3' ' CG1' ' A' ' 30' ' ' VAL . 18.0 Cg_endo -75.09 167.29 27.28 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.457 1.767 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 165.98 30.08 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.452 1.764 . . . . 0.0 110.99 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' O ' ' N ' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -86.05 134.23 33.85 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.216 -179.922 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 27.2 t 68.31 -61.42 0.4 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.045 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 34' ' ' GLU . . . -41.64 126.24 2.92 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.383 1.052 . . . . 0.0 109.33 179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.7 mp -70.52 146.49 12.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.38 63.06 1.35 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.23 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -134.95 162.99 30.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.4 1.062 . . . . 0.0 110.956 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 179.04 97.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.132 . . . . 0.0 110.062 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 23.4 t80 -129.05 121.06 27.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.991 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 2.1 tttt 62.42 139.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.403 1.064 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.42 ' O ' ' HG2' ' A' ' 44' ' ' GLU . 16.7 t0 -174.32 -53.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.436 1.085 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 43' ' ' ASP . 0.5 OUTLIER 51.29 175.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 59.66 150.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.573 1.171 . . . . 0.0 110.275 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 57.97 163.9 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.473 1.108 . . . . 0.0 109.185 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 150.6 105.88 0.33 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . . . . . . . . . 9.3 t30 173.44 125.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 0.767 . . . . 0.0 109.31 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.84 161.73 30.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.297 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -175.3 68.49 0.09 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.585 1.178 . . . . 0.0 110.972 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -130.63 -145.71 5.76 Favored Glycine 0 CA--C 1.531 1.093 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.11 141.2 3.78 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 0.809 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -116.51 156.29 27.15 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 110.325 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -127.72 97.52 4.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.131 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 22.2 p-10 179.89 151.75 0.42 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.335 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -166.92 34.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.292 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.66 73.17 1.0 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.429 1.081 . . . . 0.0 109.21 -179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -140.69 156.95 68.83 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.514 ' HG3' ' CE1' ' A' ' 31' ' ' TYR . 18.4 Cg_endo -74.92 -71.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.546 1.814 . . . . 0.0 111.014 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 5.5 mtm 62.14 166.09 0.11 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 111.089 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 54.2 p30 -167.98 166.55 13.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 109.347 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.531 ' HB ' ' CZ ' ' A' ' 64' ' ' PHE . 62.6 m -62.2 165.15 6.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.439 ' O ' HG22 ' A' ' 63' ' ' ILE . 1.8 mp -114.38 93.39 2.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.531 ' CZ ' ' HB ' ' A' ' 62' ' ' THR . 34.1 m-85 -91.42 146.53 23.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 111.023 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.767 HG23 ' O ' ' A' ' 83' ' ' ASP . 88.1 t -73.64 145.43 11.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.743 ' HB3' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -99.81 -47.68 4.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -157.85 172.41 18.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.238 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 53.3 t -134.17 116.77 23.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . 0.425 ' HD2' ' N ' ' A' ' 70' ' ' GLU . 0.0 OUTLIER -40.93 153.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 109.329 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.425 ' N ' ' HD2' ' A' ' 69' ' ' LYS . 1.0 OUTLIER -96.82 74.72 2.69 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 75' ' ' PHE . . . 111.24 32.44 2.57 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.56 -152.35 20.67 Favored Glycine 0 CA--C 1.529 0.942 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -68.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.471 1.774 . . . . 0.0 111.055 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.693 ' HB2' HD21 ' A' ' 14' ' ' LEU . . . -47.13 -44.6 21.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.547 ' CD2' ' HA2' ' A' ' 71' ' ' GLY . 76.0 t80 -51.5 -33.43 31.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' C ' ' N ' ' A' ' 78' ' ' GLY . 3.0 mm-40 -81.64 -55.42 4.66 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.433 1.083 . . . . 0.0 110.334 179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.5 ' HB2' ' O ' ' A' ' 13' ' ' THR . . . -39.42 -30.74 0.07 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.52 1.137 . . . . 0.0 109.314 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . 0.44 ' N ' ' C ' ' A' ' 76' ' ' GLU . . . 109.87 4.66 29.63 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.541 ' CD1' HG21 ' A' ' 12' ' ' VAL . 2.0 tp -51.52 -178.73 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 0.738 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.559 ' O ' HG11 ' A' ' 65' ' ' VAL . 0.5 OUTLIER -168.14 -164.89 0.57 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 108.267 -179.929 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 p -103.77 131.68 50.73 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.517 1.135 . . . . 0.0 110.388 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 109.45 -41.22 2.29 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.961 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ASP . . . . . 0.767 ' O ' HG23 ' A' ' 65' ' ' VAL . 70.8 m-20 -52.64 124.35 13.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.561 0.801 . . . . 0.0 109.298 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.413 ' O ' ' HA ' ' A' ' 116' ' ' VAL . 0.0 OUTLIER -97.15 148.54 22.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.55 1.156 . . . . 0.0 110.348 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 1.3 mp -82.61 131.55 33.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.621 1.201 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ILE . . . . . 1.003 HD12 ' HE2' ' A' ' 87' ' ' LYS . 3.9 pt -112.36 -33.03 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.418 1.074 . . . . 0.0 109.307 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 1.003 ' HE2' HD12 ' A' ' 86' ' ' ILE . 0.4 OUTLIER -142.43 150.11 40.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.759 HG22 HD23 ' A' ' 114' ' ' LEU . 93.3 t -136.32 129.3 46.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.141 . . . . 0.0 109.279 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ASN . . . . . 0.637 ' CG ' HG12 ' A' ' 88' ' ' VAL . 0.2 OUTLIER 33.21 44.0 0.05 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.937 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 42.42 51.82 5.37 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.573 1.171 . . . . 0.0 110.973 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.499 ' O ' ' CB ' ' A' ' 92' ' ' SER . 0.6 OUTLIER -108.37 -23.5 11.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 0.721 . . . . 0.0 110.277 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' A' ' 91' ' ' GLU . 0.8 OUTLIER 85.33 111.26 0.05 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.005 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' VAL . . . . . 0.703 HG23 ' O ' ' A' ' 93' ' ' VAL . 4.0 m -135.51 53.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.137 . . . . 0.0 109.356 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.5 mm -87.49 -38.51 12.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.579 1.175 . . . . 0.0 109.371 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -126.32 29.45 4.54 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.519 1.137 . . . . 0.0 110.968 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 38.6 mttp -95.83 149.32 21.66 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.453 0.737 . . . . 0.0 109.349 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -86.8 166.14 15.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.926 ' CE1' HD11 ' A' ' 102' ' ' ILE . 19.0 t80 -54.77 -64.02 0.97 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.441 1.088 . . . . 0.0 110.994 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -45.33 -30.77 1.38 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.509 1.131 . . . . 0.0 110.075 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -71.04 0.31 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' VAL . . . . . 0.454 ' CG1' ' HB ' ' A' ' 93' ' ' VAL . 33.8 m -50.03 -30.44 6.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.926 HD11 ' CE1' ' A' ' 98' ' ' TYR . 4.0 mm -56.6 -47.73 81.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 0.0 109.237 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.53 84.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 30.7 mt -59.35 -29.23 67.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 0.0 109.218 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 20.2 mt -83.43 -44.5 18.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.56 1.163 . . . . 0.0 109.285 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -64.64 -29.12 70.13 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.495 1.122 . . . . 0.0 110.319 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . . 36.7 m-80 -102.28 11.37 38.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 1.119 . . . . 0.0 109.277 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.563 ' OG ' ' CZ ' ' A' ' 21' ' ' PHE . 62.5 p -53.89 -20.09 5.48 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.49 1.119 . . . . 0.0 109.945 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.49 ' CB ' ' O ' ' A' ' 108' ' ' SER . 2.9 t70 81.06 -151.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 109.323 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.8 m -53.58 -51.31 63.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' THR . . . . . 0.838 HG22 ' HG2' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -109.81 178.88 4.28 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 110.425 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.578 ' HB2' ' CE2' ' A' ' 21' ' ' PHE . 0.3 OUTLIER -152.67 109.06 3.4 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 109.258 -179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.489 ' N ' HD22 ' A' ' 112' ' ' LEU . 35.4 tt0 -93.34 132.88 37.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LEU . . . . . 0.759 HD23 HG22 ' A' ' 88' ' ' VAL . 10.0 mt -128.82 168.6 15.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.571 1.169 . . . . 0.0 109.347 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' SER . . . . . 0.456 ' O ' ' CG1' ' A' ' 86' ' ' ILE . 8.7 t -143.49 127.33 17.24 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.167 . . . . 0.0 109.949 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.564 HG22 ' HG2' ' A' ' 10' ' ' LYS . 3.4 m -118.34 -168.91 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.123 . . . . 0.0 109.315 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' MET . . . . . 0.42 ' CE ' ' HA ' ' A' ' 9' ' ' PRO . 3.1 mmt -139.77 87.86 12.59 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' PRO . . . . . 0.481 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 18.4 Cg_endo -75.06 170.64 19.96 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.456 1.767 . . . . 0.0 110.945 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LYS . . . . . 0.428 ' HG2' ' N ' ' A' ' 120' ' ' ASP . 9.4 tttt -153.2 -77.15 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.361 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.428 ' N ' ' HG2' ' A' ' 119' ' ' LYS . 1.0 OUTLIER -122.64 107.14 11.62 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.532 1.145 . . . . 0.0 109.304 179.912 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.85 167.26 11.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . 135.18 164.71 10.53 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.41 1.069 . . . . 0.0 111.045 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 69.76 5.5 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.495 1.787 . . . . 0.0 110.926 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' SER . . . . . . . . . . . . . 10.6 t -54.2 156.76 2.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' SER . . . . . . . . . . . . . 12.1 m -84.83 145.61 27.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.052 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.052 0 O-C-N 124.588 1.18 . . . . 0.0 110.939 -179.987 . . . . . . . . 0 0 . 1 stop_ save_