data_2kss_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 2kss _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.6 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 132.02 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.07 59.08 1.0 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.16 162.68 52.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -54.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.738 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 27.3 m -132.61 177.51 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -103.7 152.54 21.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.314 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 25.4 mm -63.54 138.42 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.78 6.41 89.07 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.49 137.31 32.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 0.731 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -94.22 119.84 33.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 86' ' ' VAL . 30.9 m -111.93 171.96 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -120.2 121.55 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.3 t -66.02 114.3 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 100' ' ' GLU . 2.7 p -60.03 140.72 90.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 18.5 Cg_endo -74.95 -49.74 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.751 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 149.57 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -92.82 141.78 28.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 -41.41 5.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -90.54 -59.56 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.51 -41.14 0.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -88.25 132.49 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -151.93 162.95 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.419 ' N ' HG21 ' A' ' 55' ' ' ILE . 38.2 t -104.69 118.05 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -72.28 -28.91 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -68.99 -49.32 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 61' ' ' GLY . 28.2 m-85 -78.29 -19.71 53.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER -50.18 93.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.068 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 108.49 40.65 1.59 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.89 -177.38 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 m -149.28 115.4 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 1.157 . . . . 0.0 110.376 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.64 -176.17 14.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 66' ' ' VAL . 1.4 mt -113.53 150.62 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.43 ' N ' HG22 ' A' ' 65' ' ' ILE . 78.5 t -77.49 110.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.1 t -77.83 -35.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -130.88 145.98 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 ' CZ ' ' A' ' 71' ' ' PHE . 7.0 tt -111.25 153.08 26.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 5.3 m -82.65 105.07 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.217 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 19.9 m-85 -134.59 169.04 17.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.52 106.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.384 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.411 ' N ' ' HD2' ' A' ' 73' ' ' ASP . 1.2 m-20 -75.44 114.19 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.404 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.93 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.81 -3.42 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -127.18 11.05 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 59.99 148.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.08 154.09 12.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.7 Cg_endo -74.88 -57.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.042 -2.482 . . . . 0.0 111.041 -0.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -115.36 -28.08 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.44 160.07 69.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.186 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.07 7.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.39 176.02 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.433 ' N ' HG13 ' A' ' 70' ' ' VAL . 1.1 pt -75.12 144.9 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.78 134.35 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 t -105.57 133.22 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.043 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tt -117.71 119.77 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 53.6 t -81.59 152.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.14 117.01 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.87 -9.07 60.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.455 ' HB2' ' CG1' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -102.79 -167.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.35 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.18 -159.81 34.25 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -135.27 138.14 43.22 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 0.771 . . . . 0.0 110.204 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -132.45 165.75 23.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.444 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -102.27 124.51 47.98 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.402 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.5 m-85 -121.06 166.68 13.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.98 158.02 35.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.131 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -15.39 21.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -99.2 -5.68 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 110.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.412 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -87.53 -65.64 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.0 pp -97.19 163.67 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -127.01 168.23 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 120.66 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.29 150.93 7.83 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.37 1.044 . . . . 0.0 109.236 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 29.6 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 135.87 57.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.36 70.08 0.97 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.554 1.159 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.53 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -150.04 160.44 33.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.573 0.808 . . . . 0.0 109.214 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.464 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.1 Cg_endo -75.1 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.412 1.743 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 31.2 m -121.05 177.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -107.96 144.23 35.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.7 mm -53.48 131.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.26 81.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -82.29 132.59 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -93.37 114.71 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -108.42 172.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -119.34 114.07 21.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.43 126.03 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.47 161.08 3.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -109.11 171.8 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.434 ' N ' HG12 ' A' ' 55' ' ' ILE . 45.6 t -62.99 138.6 58.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.86 8.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.35 -56.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.68 -68.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -60.73 133.9 56.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 0.0 110.311 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.434 HG12 ' N ' ' A' ' 50' ' ' SER . 5.2 tp -165.33 162.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.385 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.0 m -141.31 131.31 24.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -74.36 -19.69 60.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.374 1.046 . . . . 0.0 110.315 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 9.7 mtt180 -67.86 -48.74 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 110.254 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.545 ' CD1' HG21 ' A' ' 88' ' ' VAL . 54.4 m-85 -89.54 21.83 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tt -66.69 91.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.54 36.85 7.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -110.84 -176.28 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.471 HG22 ' CD ' ' A' ' 43' ' ' LYS . 36.6 m -147.9 122.84 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.63 -177.87 15.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 66' ' ' VAL . 1.7 mt -115.01 157.06 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.42 ' N ' HG21 ' A' ' 65' ' ' ILE . 43.2 t -87.22 105.06 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.383 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.95 -30.46 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -135.01 136.86 8.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 8.7 tt -100.93 161.87 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.511 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 4.8 m -90.83 103.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -135.71 169.03 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -42.48 106.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.37 120.33 80.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.36 35.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 12.5 t -130.22 11.13 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' THR . 21.4 mt-30 59.55 150.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.72 155.75 13.07 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.939 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.546 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -74.99 -57.18 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.988 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.64 -27.71 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.5 166.94 25.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.465 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.2 tp -105.19 176.43 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.57 144.7 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -137.03 128.31 28.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 t -96.17 139.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.6 tt -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.545 HG21 ' CD1' ' A' ' 59' ' ' PHE . 42.8 t -96.38 152.95 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.01 122.02 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.25 5.32 76.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.99 -166.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.54 -158.85 30.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.3 133.24 27.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 110.334 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.14 166.48 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.65 128.23 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -125.99 170.23 11.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -98.1 158.71 32.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.464 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.09 -17.02 19.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 -8.57 24.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -65.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 pp -97.03 154.72 17.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.205 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.97 168.22 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tt -82.43 124.45 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.65 154.67 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.58 1.832 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.325 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 95.0 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.68 144.36 18.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.93 -37.03 4.03 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.502 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -42.14 160.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.346 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.467 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -75.01 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 103' ' ' LEU . 25.1 m -124.4 177.41 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -110.67 141.86 43.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 27.4 mm -53.54 138.69 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.35 22.6 75.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -98.39 133.54 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.456 ' HE2' ' CG2' ' A' ' 63' ' ' THR . 13.2 tttt -93.55 117.0 29.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -113.96 171.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -117.8 117.21 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.453 HG11 ' CE1' ' A' ' 96' ' ' PHE . 97.4 t -67.62 114.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -55.29 160.73 3.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.506 1.793 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -117.62 130.35 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -71.43 165.39 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.06 -16.37 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.06 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.51 -53.49 0.07 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 t -58.91 139.02 57.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -169.03 165.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -139.66 117.91 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.588 1.18 . . . . 0.0 110.119 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -69.38 -7.86 41.31 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -48.02 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -89.53 13.99 12.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.41 94.33 0.06 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.1 8.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.585 1.178 . . . . 0.0 111.058 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.33 173.42 6.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.456 ' CG2' ' HE2' ' A' ' 43' ' ' LYS . 2.8 m -134.98 112.32 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.37 -179.57 15.97 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 66' ' ' VAL . 1.9 mt -113.09 158.46 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 109.347 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.42 ' N ' HG23 ' A' ' 65' ' ' ILE . 60.6 t -85.19 114.17 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.1 t -79.14 -38.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.19 147.38 18.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 71' ' ' PHE . 5.9 tt -108.69 158.28 17.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.237 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 13.0 m -90.03 105.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 69' ' ' LEU . 31.9 m-85 -134.19 169.14 17.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.925 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.7 p-10 -42.43 106.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.97 113.49 18.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.418 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.87 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.91 -2.73 57.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.1 t -128.93 13.28 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.25 147.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.549 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -164.41 153.25 11.41 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 111.059 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.03 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.987 -0.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.11 -28.34 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 85' ' ' GLN . 1.6 m-20 -132.56 166.04 31.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.426 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.8 tp -109.61 175.79 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -75.59 145.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.443 ' NE2' ' OD2' ' A' ' 81' ' ' ASP . 1.4 pt20 -135.5 143.12 45.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 110.38 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.14 143.04 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 tt -132.89 120.89 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.5 t -91.37 151.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 121.15 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.66 -10.3 59.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -166.32 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.52 -147.28 21.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -140.38 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.264 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -101.83 133.27 46.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.453 ' CE1' HG11 ' A' ' 46' ' ' VAL . 99.2 m-85 -133.04 170.43 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.077 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -97.76 158.92 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.467 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.06 -20.05 17.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.761 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 2.53 45.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -93.96 -61.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.401 HD22 ' CB ' ' A' ' 96' ' ' PHE . 4.3 pp -97.03 159.28 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.38 168.49 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -77.21 126.04 30.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.04 153.77 64.46 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.259 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.511 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 49.9 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -53.47 131.12 37.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.99 83.05 1.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.29 155.88 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 17.2 m -129.77 177.47 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.14 157.64 16.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.0 143.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.03 10.24 84.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.72 141.56 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 0.717 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -97.68 118.08 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 86' ' ' VAL . 28.3 m -110.69 169.92 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -117.98 116.18 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.9 t -65.92 119.44 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.5 121.45 67.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.641 1.213 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.88 17.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -111.39 143.77 41.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -97.15 134.86 39.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -112.96 -45.14 3.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.43 -69.76 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.5 -51.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 t -65.75 134.07 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 110.429 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -166.25 161.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.9 t -126.69 116.1 20.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.474 1.109 . . . . 0.0 109.937 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' LEU . 57.7 tt0 -60.35 -39.26 86.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -53.2 -49.58 66.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CE1' HD22 ' A' ' 91' ' ' LEU . 42.2 m-85 -89.13 19.35 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 57' ' ' GLN . 7.8 tp -54.72 99.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.57 48.95 67.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -179.76 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.783 . . . . 0.0 110.22 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.72 115.73 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.11 176.02 20.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.153 . . . . 0.0 111.013 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 1.4 mm -103.22 156.94 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 68' ' ' GLY . 24.6 t -88.5 112.52 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.8 t -79.57 -32.72 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.454 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -130.9 146.05 17.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.555 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 7.1 tt -110.46 156.51 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.485 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 18.0 m -87.3 106.74 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 29.9 m-85 -134.39 169.09 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.45 106.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.447 ' HD2' ' N ' ' A' ' 73' ' ' ASP . 1.2 m-20 -78.58 114.68 45.4 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -3.1 37.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.0 t -126.91 9.15 6.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.592 1.182 . . . . 0.0 110.354 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 59.3 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.601 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.52 154.17 12.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.545 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.96 -57.85 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.014 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.39 -27.95 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.216 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -130.4 156.47 79.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.206 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -19.02 18.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -131.03 175.8 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.48 144.82 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 8.1 pt20 -130.87 133.73 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 44' ' ' VAL . 2.2 t -105.01 147.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.423 ' N ' HG12 ' A' ' 86' ' ' VAL . 8.9 tt -134.81 118.35 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.39 150.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.12 130.27 42.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.78 1.92 59.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.614 1.196 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -116.56 -165.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.78 -153.16 28.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -140.91 136.94 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -134.81 164.63 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.24 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.38 127.22 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 91.4 m-85 -124.23 170.35 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -96.03 158.26 34.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.72 19.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.11 -6.92 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.28 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.97 -62.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.5 pp -97.22 167.78 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -128.26 168.31 15.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 tp -77.54 131.42 37.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.32 154.4 84.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.2 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 46.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.44 131.33 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.598 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 95.69 90.04 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.567 1.167 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.402 ' CB ' HD22 ' A' ' 69' ' ' LEU . . . -166.24 162.28 12.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.466 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -75.06 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.39 1.731 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.415 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 15.7 m -130.06 177.3 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.382 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -109.77 140.99 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.2 mm -55.63 132.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.61 17.89 79.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -92.66 143.94 25.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.56 116.04 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.4 m -114.87 171.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.442 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -120.73 119.63 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.481 HG13 ' CE1' ' A' ' 96' ' ' PHE . 53.7 t -67.14 117.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.386 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.36 128.82 68.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -46.32 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.04 144.01 30.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -112.07 90.22 3.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.72 -42.31 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -176.59 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.12 -67.86 1.74 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.85 142.48 53.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 tp -165.67 166.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -145.8 114.93 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -75.96 -13.72 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.275 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -81.55 -29.98 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.441 ' CE1' HD23 ' A' ' 91' ' ' LEU . 37.9 m-85 -103.5 13.32 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.03 116.1 3.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.08 32.37 83.94 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.62 -171.49 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.1 m -156.52 120.11 4.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.76 -165.46 10.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 66' ' ' VAL . 1.2 mt -124.21 151.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' HG22 ' A' ' 65' ' ' ILE . 40.4 t -80.66 113.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.57 -39.36 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.29 151.22 21.02 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.529 HD23 ' CE2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -98.82 176.46 5.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 0.823 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 4.3 m -115.94 104.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -135.13 169.7 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.389 1.056 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -41.88 106.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.46 ' HD2' ' N ' ' A' ' 73' ' ' ASP . 7.7 m-20 -76.49 116.77 59.4 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 109.259 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -74.95 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.489 1.783 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.25 -1.75 28.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 t -128.31 7.49 5.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.43 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 2.1 mt-30 58.7 154.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -164.52 153.67 11.62 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -59.98 0.1 OUTLIER 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.972 -0.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -119.45 -28.99 5.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.75 160.3 47.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.06 5.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.416 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.9 tp -129.99 175.54 8.79 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 1.131 . . . . 0.0 109.389 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.475 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.3 pt -75.52 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -132.85 133.31 43.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 t -103.76 136.1 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 tt -123.94 122.59 38.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.65 151.44 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 126.34 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.88 -1.34 63.17 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -112.83 -168.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.606 0.827 . . . . 0.0 109.353 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.72 -150.09 26.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -142.76 143.22 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 0.763 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.7 t70 -142.04 165.45 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -103.6 132.28 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.481 ' CE1' HG13 ' A' ' 46' ' ' VAL . 98.1 m-85 -126.47 169.94 12.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -93.39 157.82 38.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.466 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -20.94 16.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -99.08 5.56 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.74 -61.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.9 pp -97.12 166.38 11.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.98 168.35 16.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 tp -77.5 131.76 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.01 152.58 90.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.05 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.416 1.745 . . . . 0.0 110.963 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.493 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.8 t . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.91 125.3 22.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.405 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.82 65.27 0.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -147.34 159.34 42.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.505 1.792 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 22.2 m -131.96 177.74 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -99.38 148.4 24.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 110.353 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.415 HD11 ' CB ' ' A' ' 69' ' ' LEU . 3.5 mm -59.37 137.99 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.17 17.01 73.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -81.84 145.07 30.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -93.43 109.43 21.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.75 171.9 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -126.43 119.78 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.97 133.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.4 p -70.35 136.25 86.5 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.214 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.95 2.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.803 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -91.13 158.37 16.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.586 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -117.3 125.49 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -111.91 -45.48 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 53' ' ' GLY . 4.1 t70 -71.63 -91.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -175.87 33.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -149.88 134.26 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.1 tp -171.66 158.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -136.91 118.38 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -32.32 71.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -35.89 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.56 ' CD1' HG21 ' A' ' 88' ' ' VAL . 28.5 m-85 -101.3 18.69 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.07 110.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.86 28.39 73.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.389 1.056 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 172.4 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 110.312 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 m -141.01 115.05 9.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.72 -179.33 16.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mt -111.48 154.45 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.791 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 68' ' ' GLY . 58.9 t -89.41 105.4 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.465 HG11 ' CG ' ' A' ' 85' ' ' GLN . 8.9 p -77.42 -23.17 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -135.79 134.99 7.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.57 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 8.1 tt -107.4 158.24 17.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.539 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 18.8 m -88.72 104.99 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 5.8 m-85 -134.68 169.16 17.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.36 106.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.363 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.94 116.64 55.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.257 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.91 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.546 1.814 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.99 -7.24 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' CG2' ' A' ' 76' ' ' THR . 4.8 m -123.51 12.16 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.44 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' THR . 2.7 mt-30 59.79 149.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.592 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.7 154.75 12.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -58.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.958 -0.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.95 -28.0 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.47 163.99 46.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -53.48 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -100.55 175.92 5.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.452 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.29 144.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.465 ' CG ' HG11 ' A' ' 67' ' ' VAL . 3.4 pt20 -137.09 130.11 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.452 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -99.0 146.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 7.5 tt -134.09 117.63 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.56 HG21 ' CD1' ' A' ' 59' ' ' PHE . 47.3 t -85.54 152.64 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.24 133.63 48.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.13 11.15 44.33 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.375 1.047 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.16 -165.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 0.705 . . . . 0.0 109.266 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.78 -155.02 30.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 6.4 pt-20 -142.58 134.12 26.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 2.0 t70 -132.31 166.65 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.412 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.79 130.54 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 92.7 m-85 -126.34 162.35 25.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -91.28 159.74 38.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.2 19.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.85 -0.94 38.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.59 -70.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -100.27 168.98 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.203 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -118.05 160.75 20.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.559 1.162 . . . . 0.0 110.228 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 tt -80.55 126.42 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.1 147.19 85.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -54.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 26.9 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' N ' HG13 ' A' ' 33' ' ' VAL . 1.7 p30 -69.43 140.94 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.512 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 85.7 88.92 0.93 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -165.59 159.2 13.56 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.584 0.814 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.99 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 11.7 m -124.49 177.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -112.25 144.13 42.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 41.9 mm -56.14 130.45 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.38 17.32 80.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.81 142.81 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 0.778 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -93.47 123.86 37.07 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.598 1.186 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.9 m -126.64 172.38 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.76 121.45 40.86 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.08 120.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -60.97 130.78 91.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.65 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.524 1.802 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.94 140.97 58.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.508 1.13 . . . . 0.0 109.534 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.1 t -95.98 109.28 21.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -108.29 -44.71 4.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.69 159.77 14.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.32 -37.39 39.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.04 132.54 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 tp -161.32 165.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.23 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 t -145.87 120.36 9.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -79.19 -18.08 53.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -46.25 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.1 m-85 -83.74 -11.8 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 99.87 46.02 1.98 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.405 1.065 . . . . 0.0 111.028 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.23 -168.4 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.8 m -156.6 115.94 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.5 -176.46 14.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 mt -113.01 152.04 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.459 ' CG2' HG22 ' A' ' 38' ' ' VAL . 38.5 t -89.27 116.65 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.44 -60.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.178 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.0 156.05 15.97 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -106.13 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -136.93 169.41 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.11 106.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -68.59 114.11 20.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.46 -0.1 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.1 t -129.56 9.71 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.29 148.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.351 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.74 154.62 12.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.556 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 17.9 Cg_endo -75.06 -59.36 0.12 OUTLIER 'Cis proline' 0 C--N 1.361 1.218 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.924 -0.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.03 -28.01 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.1 165.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -113.48 175.14 5.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pt -75.42 142.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.595 1.185 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -136.58 129.69 31.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.47 136.46 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -125.24 124.45 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 t -93.48 151.96 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.38 123.06 19.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.77 -7.55 62.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -166.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 0.81 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.0 -157.8 28.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.413 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -136.86 140.17 42.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 5.7 t70 -137.39 166.63 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.56 134.54 44.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.47 ' CB ' HD22 ' A' ' 101' ' ' LEU . 93.4 m-85 -130.54 170.44 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -95.12 158.28 35.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -17.97 18.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.22 -5.24 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.37 -64.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 96' ' ' PHE . 4.6 pp -97.04 161.74 13.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.054 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -119.63 168.45 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 tp -77.33 124.85 28.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.95 149.19 6.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.217 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -55.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.364 1.718 . . . . 0.0 110.969 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -50.49 131.91 25.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.82 79.2 1.45 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . . . -161.47 159.44 23.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -33.33 4.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 m -126.78 177.99 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -119.62 144.92 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.94 127.09 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' HA2' ' CG2' ' A' ' 65' ' ' ILE . . . 77.35 11.36 85.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.579 1.174 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.24 141.56 39.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -93.96 116.3 28.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.244 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 63' ' ' THR . 27.7 m -115.33 172.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -125.36 122.49 36.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.06 113.78 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -55.32 160.87 3.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.11 119.7 36.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -69.3 174.15 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' OG ' ' A' ' 50' ' ' SER . 8.3 mt-10 -103.62 -24.46 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -73.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.94 -45.42 0.08 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.9 t -62.07 134.2 56.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 0.816 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -159.56 159.63 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -127.39 110.45 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -65.37 -27.45 68.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -65.53 -39.57 91.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . 25.6 m-85 -91.39 -19.56 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.668 1.23 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tt -49.21 94.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 106.64 36.74 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.603 1.189 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -168.66 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 44' ' ' VAL . 19.4 m -157.2 113.14 2.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.186 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.8 -177.4 16.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.415 ' CG2' ' HA2' ' A' ' 41' ' ' GLY . 1.3 mt -118.24 150.48 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.72 116.34 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.643 1.214 . . . . 0.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.79 -33.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.37 -145.04 7.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 36' ' ' ALA . 1.3 tt -174.66 175.03 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 0.719 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.474 HG13 ' CG2' ' A' ' 84' ' ' ILE . 13.0 m -106.0 103.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.199 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -136.46 169.21 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 106.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -81.79 115.64 58.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.436 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.7 Cg_endo -74.98 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.22 -4.38 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 10.4 t -124.34 3.11 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.436 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 33.3 mt-30 59.36 151.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.376 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -158.77 154.65 23.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.98 -58.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.028 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -116.77 -27.97 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.59 161.89 56.37 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -34.02 4.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.463 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.5 pt? -116.04 175.9 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.474 ' CG2' HG13 ' A' ' 70' ' ' VAL . 1.2 pt -74.89 145.18 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.449 ' NE2' ' OD1' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -130.37 139.1 50.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.97 141.85 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 93' ' ' GLU . 9.7 tt -132.28 121.53 23.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.5 t -88.63 153.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.368 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.87 128.29 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.568 1.168 . . . . 0.0 110.312 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.0 6.89 61.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.5 -170.08 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.12 -160.57 35.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 87' ' ' LEU . 6.1 pt-20 -141.12 138.25 33.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -132.39 166.84 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.54 128.85 47.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.28 158.49 52.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.85 13.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -99.16 3.17 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -88.38 -68.67 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.0 160.58 14.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.613 1.195 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.53 168.36 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.79 125.94 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.85 97.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.561 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 25.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 144.68 26.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.176 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.21 -46.45 1.17 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' ' CE1' ' A' ' 71' ' ' PHE . . . -41.29 158.77 0.18 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.551 0.795 . . . . 0.0 109.301 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 16.8 m -133.12 177.4 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -93.98 170.97 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 mm -77.03 141.54 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.09 10.66 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.99 141.84 42.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -95.07 113.71 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.65 171.89 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -125.58 115.84 20.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.0 m -67.14 125.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.628 1.205 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.19 129.94 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.787 . . . . 0.0 111.071 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 150.0 9.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.9 t -115.08 98.61 6.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.09 -40.49 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -175.07 3.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.69 -76.46 0.68 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 t -73.62 132.34 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -153.5 158.45 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 55' ' ' ILE . 58.2 m -104.4 121.56 43.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.177 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.57 -28.78 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -76.64 -27.02 55.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.207 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.554 ' CD1' HG21 ' A' ' 88' ' ' VAL . 23.7 m-85 -99.23 17.53 19.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 70.56 48.09 38.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.22 -176.08 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 m -147.37 122.85 10.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.4 -173.76 16.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.41 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -113.58 154.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG1' ' O ' ' A' ' 68' ' ' GLY . 74.8 t -84.04 105.58 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.8 -36.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -128.3 147.99 17.65 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 6.3 tt -113.66 163.21 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 0.803 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.475 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -96.05 104.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.59 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 12.4 m-85 -134.83 169.17 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.06 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -42.4 106.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.34 114.99 49.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -164.2 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.58 -3.03 38.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.4 t -127.36 9.59 6.67 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.76 153.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.23 154.46 12.81 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.56 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.93 -59.41 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.041 -0.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.24 -28.62 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -123.4 156.12 64.37 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.356 1.035 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.463 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.6 tp -111.53 174.97 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.4 144.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.382 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -133.19 136.22 45.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.26 122.35 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 7.2 tt -108.31 124.73 50.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.554 HG21 ' CD1' ' A' ' 59' ' ' PHE . 49.1 t -88.03 151.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 130.29 41.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.247 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.96 5.86 54.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -169.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.16 -155.05 31.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 2.2 pt-20 -139.67 150.06 44.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.226 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.7 t70 -145.88 167.03 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -101.15 130.57 47.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.61 162.81 24.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.405 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 4.7 m-85 -89.3 159.42 44.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -20.66 16.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.957 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -99.66 -4.9 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.405 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 4.2 mm-40 -83.68 -61.43 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 pp -97.09 170.5 9.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.364 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -136.04 167.5 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.213 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.0 tp -77.58 131.84 38.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 152.37 3.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -54.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.552 1.817 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.588 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 49.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.81 115.31 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.84 64.59 0.32 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.411 1.07 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -145.37 158.93 50.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.42 0.717 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.478 1.778 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 m -125.64 177.55 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.683 1.24 . . . . 0.0 109.246 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 6.9 tmm_? -105.65 157.37 17.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.367 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 mm -63.72 132.5 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.37 2.9 81.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.376 1.047 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -67.88 141.56 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.3 OUTLIER -93.22 120.4 33.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.66 171.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -128.7 116.17 19.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.84 127.52 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.381 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.3 m -55.36 160.33 3.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.15 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.44 1.758 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -112.85 148.22 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.594 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' HG12 ' A' ' 55' ' ' ILE . 29.9 t -47.7 146.55 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.84 -26.43 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.072 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.6 OUTLIER -130.43 -49.1 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.74 -64.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.22 133.61 56.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 0.744 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.428 HG12 ' N ' ' A' ' 50' ' ' SER . 4.4 tp -171.77 164.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -139.49 118.6 12.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.26 -15.85 63.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -79.53 -40.29 29.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.237 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -94.01 17.62 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.64 102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.88 36.8 61.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.06 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.234 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.6 m -127.75 126.19 41.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.57 -158.74 7.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -135.46 153.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.438 ' CG1' HG22 ' A' ' 84' ' ' ILE . 40.1 t -82.4 140.5 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.427 ' CG2' ' CG ' ' A' ' 85' ' ' GLN . 41.3 t -88.79 -47.67 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.54 -133.77 4.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.424 1.078 . . . . 0.0 110.976 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.492 ' HA ' ' CG2' ' A' ' 84' ' ' ILE . 0.6 OUTLIER -167.95 163.28 13.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 9.0 m -99.97 102.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -137.71 169.92 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -41.75 106.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.02 114.87 20.16 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.434 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -164.19 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.49 -5.09 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 76' ' ' THR . 5.4 m -127.2 14.8 7.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.195 . . . . 0.0 110.429 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER 60.0 147.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.86 153.78 11.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.551 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.09 -59.31 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.986 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.34 -28.1 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.91 169.08 14.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.605 1.845 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.476 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.3 pt? -131.75 176.56 8.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.492 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -74.25 144.82 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.384 1.052 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.427 ' CG ' ' CG2' ' A' ' 67' ' ' VAL . 1.0 OUTLIER -132.99 127.58 34.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 96' ' ' PHE . 2.9 t -96.93 133.15 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 93' ' ' GLU . 8.7 tt -124.54 121.95 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.9 t -93.41 150.21 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.085 . . . . 0.0 109.337 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.91 130.29 41.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.69 61.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.8 -165.33 1.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 0.75 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.0 -164.66 30.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' HB3' ' CG ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -133.88 138.36 45.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 0.714 . . . . 0.0 110.305 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.8 t70 -135.23 166.67 22.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.51 127.77 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CE1' ' HB ' ' A' ' 86' ' ' VAL . 68.7 m-85 -123.84 160.82 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.14 159.24 48.44 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.25 18.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.63 -1.74 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 52' ' ' ASP . 4.8 mm-40 -83.26 -69.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.225 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.99 168.18 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.22 164.74 15.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 110.223 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -77.49 131.08 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.406 ' N ' HD22 ' A' ' 103' ' ' LEU . . . -95.26 152.24 39.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.592 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 47.3 t . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.68 129.34 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.591 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.31 87.11 1.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.572 1.17 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -164.14 158.88 16.34 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -74.99 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG2' HG21 ' A' ' 66' ' ' VAL . 25.5 m -124.1 177.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -111.46 154.8 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.439 1.087 . . . . 0.0 110.246 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.6 mm -60.92 133.67 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.064 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.17 82.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -71.97 133.03 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -92.98 114.07 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -108.03 171.31 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -122.55 113.94 19.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.452 HG11 ' CE1' ' A' ' 96' ' ' PHE . 42.9 t -66.64 123.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.05 157.4 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.546 1.814 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -106.31 148.63 27.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.474 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 26.6 t -53.44 145.03 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.915 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.21 -34.44 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.03 -60.76 1.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.389 1.056 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.52 -63.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.6 t -61.85 138.76 58.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 50' ' ' SER . 8.3 tp -171.44 156.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.3 t -129.03 121.38 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -64.98 -19.54 66.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -71.49 -47.92 52.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -88.42 18.33 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.49 99.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.65 24.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -109.49 163.11 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.363 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.4 m -125.34 126.42 45.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.95 -174.36 14.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 66' ' ' VAL . 1.6 mt -118.81 160.47 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.428 HG21 ' CG2' ' A' ' 38' ' ' VAL . 45.0 t -85.21 139.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.36 -43.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.51 -131.19 3.23 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.537 HD23 ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -169.7 173.21 6.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 0.746 . . . . 0.0 109.237 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 24.3 m -110.06 103.16 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CE2' ' HB ' ' A' ' 33' ' ' VAL . 1.5 m-85 -136.92 169.86 17.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 111.05 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 106.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.81 114.47 32.73 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.403 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.09 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.51 -0.53 42.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -128.36 7.94 5.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.564 1.165 . . . . 0.0 110.465 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER 61.7 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -155.76 154.53 28.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.562 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.07 -60.88 0.06 OUTLIER 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.022 0.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.39 -28.44 5.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.426 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 12.6 m-20 -122.95 160.81 47.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.461 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.9 pt? -121.96 175.63 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.49 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.3 pt -75.66 144.83 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.386 1.054 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.426 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 5.7 pt20 -137.17 138.42 40.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.406 1.066 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -105.93 139.49 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 tt -127.61 129.41 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.622 1.201 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 32.5 t -99.42 149.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.32 124.16 23.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.244 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.76 -6.43 65.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.34 -165.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.744 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -148.44 23.92 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -143.24 150.06 38.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.562 ' OD1' ' CZ ' ' A' ' 96' ' ' PHE . 3.3 t70 -148.08 166.96 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -106.26 134.9 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.562 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 92.0 m-85 -130.72 170.33 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.95 159.46 29.33 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -16.8 19.87 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.76 -4.33 30.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.28 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.98 -65.76 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.35 1.031 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.69 169.25 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -123.73 168.41 12.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.36 124.01 27.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.89 146.32 5.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.588 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 26.2 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -64.31 133.41 52.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 91.6 89.69 1.42 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -164.94 159.33 14.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.437 0.728 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.6 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 m -128.0 177.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -108.55 153.39 23.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.1 mm -61.24 133.66 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.93 8.55 84.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -80.76 137.6 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -94.4 112.73 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.84 171.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -123.22 113.64 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG11 ' CE1' ' A' ' 96' ' ' PHE . 69.0 t -67.29 117.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 m -54.99 160.57 2.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -117.48 140.7 49.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.612 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 t -86.34 156.24 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.14 6.46 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -123.58 -82.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.04 -55.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.15 136.85 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.769 . . . . 0.0 110.458 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 tp -171.43 164.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 m -141.49 114.66 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.947 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.02 -12.61 61.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -83.48 -36.3 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -97.86 18.58 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.64 90.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.45 8.32 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.396 1.06 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -101.9 178.56 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.6 m -150.27 111.85 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.08 -173.27 13.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 66' ' ' VAL . 1.3 mt -117.87 149.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.434 ' N ' HG23 ' A' ' 65' ' ' ILE . 23.9 t -77.93 126.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -71.98 -45.66 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.84 -124.83 2.82 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 84' ' ' ILE . 0.7 OUTLIER -170.84 177.88 3.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -113.27 102.05 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.22 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.611 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -137.97 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 111.092 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.13 106.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.85 114.42 32.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.2 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -167.13 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.567 1.825 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.67 -3.91 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.9 t -127.0 12.14 7.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.04 152.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.9 153.8 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.557 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -56.56 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.232 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.001 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -27.71 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.406 ' CG ' ' OE1' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -128.18 164.15 39.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -34.12 4.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.6 1.842 . . . . 0.0 110.981 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.469 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -129.73 176.02 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.32 144.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.463 ' CB ' HD13 ' A' ' 95' ' ' LEU . 2.9 pt20 -135.74 131.36 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.498 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -104.04 143.28 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 8.2 tt -132.84 128.56 36.96 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.632 1.208 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.19 151.29 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.214 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 123.01 21.17 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 -9.81 59.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.148 . . . . 0.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 -168.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 -160.97 32.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 1.8 pt-20 -136.92 144.28 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 0.817 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -141.27 166.62 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -101.48 133.73 45.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CE1' HG11 ' A' ' 46' ' ' VAL . 96.7 m-85 -124.83 170.46 11.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -97.19 159.27 31.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.85 -23.84 13.76 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.457 1.767 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.58 4.36 45.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.99 -66.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.422 HD23 ' CB ' ' A' ' 96' ' ' PHE . 4.6 pp -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -125.09 168.5 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.78 120.66 23.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.57 143.44 98.61 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 110.235 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.596 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 35.9 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.87 122.09 15.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.62 88.01 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.461 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -165.34 158.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 17.8 Cg_endo -75.08 -44.88 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.3 m -121.59 176.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -110.69 138.59 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.5 mm -57.37 130.97 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.99 14.57 81.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.86 141.79 28.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -93.99 114.7 26.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -108.44 171.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -121.76 116.39 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.14 119.14 14.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.73 160.48 4.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.97 136.87 52.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -107.61 176.58 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -41.08 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 179.61 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.88 -36.18 61.37 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -67.23 131.96 46.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 110.426 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.7 tp -171.49 164.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -145.85 114.32 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.056 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -75.18 -17.83 60.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -75.57 -18.26 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.51 ' CD1' HG22 ' A' ' 88' ' ' VAL . 24.1 m-85 -112.46 19.25 17.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.8 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -94.13 165.71 12.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.364 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -133.23 110.32 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.35 179.52 16.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.56 1.162 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 66' ' ' VAL . 2.0 mt -110.72 156.49 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 65' ' ' ILE . 56.1 t -85.8 126.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.43 -41.94 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.648 1.217 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.39 153.91 22.19 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 84' ' ' ILE . 0.3 OUTLIER -100.71 -179.38 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.48 HG13 ' CG2' ' A' ' 84' ' ' ILE . 9.9 m -112.92 103.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CE2' ' HB ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -136.64 169.26 18.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -42.33 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -76.44 114.3 36.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.433 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -0.84 23.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 14.5 t -129.31 7.12 5.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.433 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 8.2 mt-30 58.36 155.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.3 OUTLIER -164.0 152.93 11.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.554 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.0 -57.76 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.899 -2.542 . . . . 0.0 110.987 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.19 -27.74 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.38 172.1 7.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.597 1.186 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.459 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.9 tp -107.03 176.02 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.48 ' CG2' HG13 ' A' ' 70' ' ' VAL . 1.1 pt -74.73 145.86 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.465 ' CB ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -136.93 138.75 40.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.83 147.02 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tt -131.39 117.27 18.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.51 HG22 ' CD1' ' A' ' 59' ' ' PHE . 39.5 t -86.04 150.87 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.72 132.63 47.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.56 17.1 59.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -165.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -155.59 30.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.25 145.75 34.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.361 0.683 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 95' ' ' LEU . 14.6 t70 -142.24 166.89 23.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -101.61 136.75 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.209 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -133.83 170.41 15.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.428 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 5.9 m-85 -95.57 158.82 33.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.12 -22.43 14.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.39 0.93 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.428 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 18.4 mt-10 -88.79 -62.23 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 pp -98.25 158.41 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -112.12 167.57 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.23 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.7 tp -77.47 132.13 38.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.96 154.37 95.08 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 21.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.65 132.44 52.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.43 89.6 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -165.94 159.04 12.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.56 177.03 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 157.29 18.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.2 mm -64.92 130.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.85 11.03 83.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.82 138.78 37.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -94.58 113.92 25.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.5 m -112.7 172.12 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -122.49 124.91 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.236 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.03 124.22 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.81 115.27 21.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -17.29 19.58 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.77 147.14 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -115.84 102.46 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -112.99 -36.27 5.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.89 -54.31 14.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.18 -68.84 0.29 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.509 1.131 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -86.22 132.22 34.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -145.99 160.89 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.435 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 16.5 p -85.59 138.48 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -93.13 -29.87 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -50.76 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CE1' HD23 ' A' ' 91' ' ' LEU . 53.6 m-85 -81.92 7.37 13.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.39 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.09 46.61 6.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.46 -172.23 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 128.69 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.68 -163.24 9.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -130.2 150.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.409 0.711 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.4 ' CG1' HG21 ' A' ' 84' ' ' ILE . 21.6 t -81.77 122.66 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -75.62 -51.93 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.97 -133.47 5.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -169.89 177.37 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.507 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 3.4 m -111.2 103.36 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -137.05 168.29 19.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 138.61 17.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -100.02 111.18 61.61 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.51 -58.24 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 77' ' ' GLN . 1.9 m -133.26 -40.87 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 76' ' ' THR . 6.9 pt20 167.17 -179.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.392 1.057 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -161.94 154.54 16.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.376 1.047 . . . . 0.0 110.981 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.541 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.86 -54.25 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.067 -2.472 . . . . 0.0 111.039 -0.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.55 -27.59 8.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.351 1.032 . . . . 0.0 109.313 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.463 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 3.2 m-20 -122.2 161.55 42.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.41 ' HD3' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.94 -44.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.491 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.6 pt? -113.16 176.16 5.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.228 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -74.15 145.51 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 27.6 pt20 -131.71 130.97 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.24 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.9 t -104.18 134.63 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 8.1 tt -124.33 122.84 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 56.3 t -90.65 150.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.27 119.88 16.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.56 -11.78 60.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -103.55 -165.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 0.81 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.4 -155.69 31.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 6.7 pt-20 -142.69 132.72 24.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.35 166.2 21.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.36 126.58 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.478 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 98.7 m-85 -118.05 170.11 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -99.34 158.27 32.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.49 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.04 -7.08 27.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -85.35 -66.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.2 pp -97.23 167.63 10.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.98 168.2 15.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.3 tp -78.59 131.68 36.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.07 146.79 46.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 89.8 t . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.41 119.2 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.43 65.68 0.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -143.7 160.34 50.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HG3' ' CG2' ' A' ' 70' ' ' VAL . 18.1 Cg_endo -75.04 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.463 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 14.7 m -133.8 175.27 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.69 168.79 10.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mm -75.17 141.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.85 6.89 53.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.39 139.87 42.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HE2' ' CG2' ' A' ' 63' ' ' THR . 14.8 tttt -93.49 117.0 29.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.3 m -116.24 171.74 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -118.11 122.2 42.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.183 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.48 123.05 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.385 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.38 125.51 79.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.59 1.837 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.03 149.15 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -111.15 93.89 4.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -102.89 -44.47 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.06 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.88 -83.35 0.1 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -67.85 132.58 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -146.18 161.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.417 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 24.7 t -110.48 119.08 38.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.413 1.071 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.66 -10.8 60.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -83.86 -51.93 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.565 ' CD1' HG21 ' A' ' 88' ' ' VAL . 47.6 m-85 -81.7 7.21 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.47 108.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.19 36.53 71.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.09 171.45 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.458 ' CG2' ' HE2' ' A' ' 43' ' ' LYS . 2.2 m -133.51 131.35 39.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.2 -172.11 13.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mt -121.62 151.91 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.0 t -86.2 118.73 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -47.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -118.77 -138.12 5.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.556 HD21 ' CZ ' ' A' ' 71' ' ' PHE . 8.4 tt -169.96 162.73 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.526 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 3.6 m -93.89 104.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CZ ' HD21 ' A' ' 69' ' ' LEU . 6.9 m-85 -135.04 169.33 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.6 106.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -75.0 113.98 30.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.89 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.821 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.43 -30.46 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 77' ' ' GLN . 43.4 m -101.66 12.98 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' THR . 5.6 tp-100 58.91 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.36 1.037 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.73 154.14 11.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -60.35 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.934 -2.528 . . . . 0.0 111.009 -0.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.39 -29.06 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.01 157.0 53.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.01 4.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.47 176.88 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.393 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.25 144.16 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.413 ' NE2' ' OE2' ' A' ' 93' ' ' GLU . 18.3 pt20 -137.21 129.54 29.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.444 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -96.84 147.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 7.3 tt -137.9 116.04 11.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 59' ' ' PHE . 77.9 t -84.36 151.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.374 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 122.5 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.45 -5.69 63.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.436 1.085 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.541 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -104.6 -164.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.234 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.08 -158.71 30.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 3.0 pt-20 -135.95 136.57 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -136.48 165.32 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.19 126.06 50.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.624 1.202 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.463 ' CB ' HD23 ' A' ' 101' ' ' LEU . 97.8 m-85 -120.68 170.39 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.48 158.32 34.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.8 20.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.522 1.801 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.26 -9.14 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 96' ' ' PHE . 4.6 pp -96.95 160.77 14.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.91 168.4 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.223 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.28 133.79 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.369 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.4 148.71 83.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -54.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -87.76 119.5 28.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.15 6.83 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.69 174.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.5 Cg_endo -74.96 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.21 177.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.22 170.33 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 mm -81.1 126.3 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG2' ' A' ' 65' ' ' ILE . . . 71.75 6.57 63.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.25 141.35 48.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.41 119.19 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.3 171.95 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -120.62 119.88 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.475 HG11 ' CE1' ' A' ' 96' ' ' PHE . 81.5 t -67.02 120.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -60.95 127.61 87.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.71 150.71 48.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -121.53 100.3 6.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.28 -43.68 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -64.19 1.02 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.92 -83.86 0.09 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.6 t -70.5 137.04 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.435 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -148.31 157.1 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 55' ' ' ILE . 8.5 t -102.61 110.7 22.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -18.69 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.2 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -76.22 -48.05 21.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.554 ' CE1' HD23 ' A' ' 91' ' ' LEU . 51.9 m-85 -86.67 10.85 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tp -54.3 100.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.25 24.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 -178.53 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.15 123.18 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.58 -161.51 9.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.415 ' CG2' ' C ' ' A' ' 41' ' ' GLY . 1.1 mt -129.9 153.87 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 68' ' ' GLY . 22.0 t -80.75 126.89 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.03 -41.93 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.43 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -133.87 -138.89 4.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.513 1.133 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HA ' ' CG2' ' A' ' 84' ' ' ILE . 4.3 tt -162.05 152.38 17.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.339 0.67 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 6.0 m -80.91 102.74 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -136.33 160.26 39.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.77 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.2 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 114.25 38.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.1 Cg_endo -75.02 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.33 -4.45 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -120.64 -6.21 9.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.427 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 3.9 tt0 69.27 146.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.572 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -161.58 153.88 16.68 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.173 . . . . 0.0 110.995 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.94 -57.9 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.961 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.1 -28.38 6.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.03 167.48 22.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -32.47 5.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -129.89 176.48 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.3 pt -74.93 145.19 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -132.48 132.77 43.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.4 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -99.61 136.05 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 tt -127.44 117.63 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.5 t -89.16 151.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.24 125.86 28.07 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.47 63.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.554 HD23 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -109.68 -166.27 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 -152.48 28.59 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.52 144.54 36.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.539 ' OD1' ' CZ ' ' A' ' 96' ' ' PHE . 1.9 t70 -143.58 163.65 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.406 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -103.33 128.49 50.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.539 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.9 m-85 -122.34 165.68 15.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.2 158.36 49.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.0 -23.28 13.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -98.21 -0.54 43.94 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.23 -65.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.7 pp -97.09 167.79 10.84 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -125.0 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.54 109.45 11.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.39 145.62 2.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.233 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 58.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.12 130.12 42.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.13 -33.08 3.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.633 1.208 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 71' ' ' PHE . . . -48.42 162.04 0.36 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.208 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HG3' ' CG2' ' A' ' 70' ' ' VAL . 18.4 Cg_endo -75.13 -51.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 110.992 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 10.5 m -132.41 177.55 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.5 ttt-85 -102.75 158.8 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 38.2 mm -64.25 139.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.89 11.36 66.27 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.14 134.22 38.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 0.708 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.46 ' CG ' HG12 ' A' ' 65' ' ' ILE . 1.1 ttmt -93.41 107.26 19.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.5 m -106.48 171.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -119.35 119.81 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.88 122.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.381 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -60.91 128.52 89.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -23.43 13.71 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.488 1.783 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -177.23 3.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 109.645 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 t -115.71 112.1 21.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.077 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -101.14 -43.92 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -93.42 -65.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.38 -62.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.425 HG22 ' CD2' ' A' ' 97' ' ' PHE . 13.8 t -59.19 149.82 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.388 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 tp -166.07 164.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.2 m -143.91 112.15 6.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.42 -31.81 70.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -60.41 -42.19 95.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CE1' HD21 ' A' ' 91' ' ' LEU . 29.8 m-85 -95.04 20.05 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 tt -62.5 112.54 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.374 1.046 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.47 92.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.29 -173.37 2.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.46 0.741 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.6 m -157.13 119.43 3.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.453 1.096 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.32 -173.22 12.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.46 HG12 ' CG ' ' A' ' 43' ' ' LYS . 1.6 mt -117.2 158.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.786 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.403 ' N ' HG23 ' A' ' 65' ' ' ILE . 39.6 t -89.07 110.63 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.39 -49.95 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.402 1.064 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -118.6 -132.85 4.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.576 HD21 ' CZ ' ' A' ' 71' ' ' PHE . 8.2 tt -174.21 165.69 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.343 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.502 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 2.5 m -97.92 104.2 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 6.3 m-85 -135.42 168.73 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.355 1.035 . . . . 0.0 111.046 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.64 106.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.601 1.188 . . . . 0.0 109.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.88 113.96 32.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.436 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.86 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.27 -2.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.81 11.58 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.14 149.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.07 154.51 13.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.543 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -75.05 -59.12 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.012 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -118.83 -28.71 5.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.14 155.69 55.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.2 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.4 tp -126.89 175.84 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.481 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.94 144.35 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 85' ' ' GLN . 0.5 OUTLIER -137.84 136.3 37.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 t -107.79 134.73 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.207 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 7.0 tt -122.27 125.11 45.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.7 t -95.03 152.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 72.45 15.62 77.33 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.589 1.18 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.41 HD21 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -129.51 -166.07 1.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.99 -165.17 28.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 5.1 pt-20 -130.94 134.4 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 1.7 t70 -133.21 165.97 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.439 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 6.6 mp -101.7 135.85 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.62 168.79 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.477 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 27.8 m-85 -90.63 159.55 40.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.08 14.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.39 -10.01 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.477 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 2.3 mm-40 -74.15 -64.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 pp -98.71 168.11 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -129.51 168.27 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 tp -77.58 120.33 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.63 153.89 9.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.533 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 91.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.06 133.79 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.39 49.23 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.064 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -129.37 163.01 49.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 17.9 Cg_endo -75.12 -56.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 15.4 m -126.03 177.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.393 1.058 . . . . 0.0 109.392 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -108.58 154.19 22.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.221 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 34.4 mm -61.5 135.26 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.64 12.49 83.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -81.9 137.04 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.417 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -93.4 119.68 32.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.606 1.191 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 m -120.59 171.83 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -123.54 116.14 22.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.55 HG13 ' CE1' ' A' ' 96' ' ' PHE . 80.1 t -67.61 113.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.28 161.18 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.535 1.808 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -118.96 158.58 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.636 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.408 ' CB ' HG12 ' A' ' 55' ' ' ILE . 33.8 t -115.82 169.04 9.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.604 1.19 . . . . 0.0 110.015 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.57 -26.41 18.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.92 -84.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.67 -53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.59 1.181 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 t -59.23 134.39 56.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.431 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -156.91 163.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.433 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 92.7 p -116.96 122.48 44.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -87.78 -19.72 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.96 -28.6 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.532 ' CE1' HD22 ' A' ' 91' ' ' LEU . 56.5 m-85 -110.51 22.01 15.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -60.24 97.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.72 27.08 36.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.593 1.183 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.1 177.44 5.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -145.97 123.68 11.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.357 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.67 -172.57 13.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.4 mt -117.71 155.52 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.39 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.448 HG23 ' CG2' ' A' ' 38' ' ' VAL . 13.6 t -85.65 112.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.29 -31.28 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.424 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -135.26 144.26 16.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 70' ' ' VAL . 8.0 tt -106.02 158.36 16.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.553 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 10.7 m -89.56 104.74 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.55 ' CZ ' HD23 ' A' ' 69' ' ' LEU . 3.5 m-85 -134.72 169.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.43 106.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.214 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.54 117.86 69.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.53 -2.72 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -126.08 7.0 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 58.92 154.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.6 155.88 13.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -57.67 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 -0.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.87 -27.64 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.98 160.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.56 1.821 . . . . 0.0 111.014 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.11 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.4 145.03 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -134.02 131.94 39.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.84 147.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.401 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -134.39 131.96 38.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.393 1.058 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . 0.523 HG23 ' CD1' ' A' ' 59' ' ' PHE . 54.9 t -102.76 152.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 126.33 29.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.16 5.47 81.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -121.17 -166.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.412 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.31 -157.47 29.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.401 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 7.3 pt-20 -142.04 135.78 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.45 166.68 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.56 132.67 47.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.621 1.201 . . . . 0.0 109.335 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 46' ' ' VAL . 99.0 m-85 -126.88 170.56 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . 0.471 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -92.19 160.02 36.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.941 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.09 -26.72 10.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . 0.411 ' O ' ' OE1' ' A' ' 99' ' ' GLU . 3.0 tp10 -96.53 -10.97 26.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 6.4 mt-10 -70.13 -66.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -97.37 156.99 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.49 168.46 9.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.15 130.33 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.56 154.67 23.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.573 1.828 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.593 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 42.1 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.01 144.08 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 79.65 91.94 0.4 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.39 1.056 . . . . 0.0 111.019 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.524 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -166.26 160.5 12.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.95 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.445 ' CG1' ' CD1' ' A' ' 103' ' ' LEU . 19.5 m -122.59 177.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -112.96 160.57 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.42 132.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.95 13.83 80.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.12 137.28 35.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.1 OUTLIER -93.36 107.43 19.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.397 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.95 170.02 2.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 119.29 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 122.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.01 123.2 71.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -104.09 162.89 12.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.583 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.8 t -103.27 117.58 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.549 ' N ' ' HE2' ' A' ' 51' ' ' GLU . 1.2 mp0 -108.14 -42.41 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -87.33 -61.22 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.78 -72.78 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -73.74 132.36 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 0.837 . . . . 0.0 110.458 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -144.69 159.57 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.9 t -95.02 118.54 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.923 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -19.37 60.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 13.3 ttt180 -77.37 -41.38 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 61' ' ' GLY . 46.0 m-85 -93.98 17.02 13.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.9 87.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 90.85 44.33 4.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.39 1.056 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -116.88 174.22 6.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 0.766 . . . . 0.0 110.363 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.6 m -135.8 124.84 24.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 110.482 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.67 -177.61 15.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.059 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.5 mt -115.47 155.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.407 ' N ' HG21 ' A' ' 65' ' ' ILE . 48.1 t -84.9 130.41 36.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.75 -44.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.23 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -123.81 -132.71 3.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.566 HD22 ' CE2' ' A' ' 71' ' ' PHE . 5.0 tt -170.54 172.4 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 2.2 m -105.59 102.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -137.91 169.42 17.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.1 106.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.83 116.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -164.64 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -1.82 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.77 7.89 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.3 154.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -164.62 153.07 10.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.562 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.12 -56.86 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 0.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -115.62 -28.23 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.8 165.84 27.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -30.87 6.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.477 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 0.6 OUTLIER -127.38 176.25 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.504 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -74.05 145.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -132.85 140.71 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.27 146.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 93' ' ' GLU . 6.8 tt -136.45 116.23 13.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.39 153.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.36 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 133.91 49.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.6 11.05 40.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.38 -165.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.39 -161.07 29.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB3' ' CG ' ' A' ' 87' ' ' LEU . 7.6 pt-20 -136.75 136.55 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.536 ' OD1' ' CZ ' ' A' ' 96' ' ' PHE . 5.0 t70 -128.74 166.12 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 1.4 mp -101.53 130.2 47.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 84.1 m-85 -129.97 170.63 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -99.55 159.29 30.41 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . 0.403 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -19.19 18.04 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.593 1.838 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.46 -0.88 39.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.68 -64.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 96' ' ' PHE . 4.6 pp -97.15 165.71 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -124.72 168.58 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.445 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 2.1 mp -77.33 121.58 23.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.75 145.75 39.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 -54.03 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.685 ' C ' ' O ' ' A' ' 105' ' ' PRO . 22.2 tt0 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 13.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 139.44 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.32 72.22 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.405 1.065 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.519 ' HB1' ' CE1' ' A' ' 71' ' ' PHE . . . -153.24 155.18 31.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.458 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 3.6 m -136.96 177.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.389 1.055 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.9 175.44 6.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.2 mm -79.53 146.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.46 4.77 58.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.81 133.07 48.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 0.82 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.28 112.71 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.19 171.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -130.79 120.48 23.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -73.1 102.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.211 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 m -70.85 160.83 80.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.429 1.752 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.78 117.12 3.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -104.98 101.64 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -44.94 5.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.92 167.37 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.69 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.586 1.179 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -114.38 135.3 54.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -131.45 161.93 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 57.4 m -90.42 120.89 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -75.97 -29.92 58.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -69.16 -57.74 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.196 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.29 -8.38 31.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.58 94.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.81 27.11 8.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.84 176.35 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 110.344 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 m -132.3 132.87 43.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.52 -170.83 12.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 66' ' ' VAL . 1.2 mt -129.09 154.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.41 ' N ' HG21 ' A' ' 65' ' ' ILE . 20.9 t -81.23 111.11 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.45 -45.21 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.81 -129.82 3.31 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 70' ' ' VAL . 7.3 tt -173.3 162.82 4.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 0.74 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.49 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 10.3 m -93.46 104.38 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 8.1 m-85 -135.37 169.12 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.42 106.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.01 120.28 79.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.5 Cg_endo -75.03 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.32 -3.05 34.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 t -126.91 8.09 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLN . . . . . 0.408 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 1.8 mt-30 58.88 154.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.49 155.83 13.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' PRO . . . . . 0.544 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.94 -57.71 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.986 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.403 ' OD2' ' OE1' ' A' ' 85' ' ' GLN . 21.5 p-10 -114.58 -27.69 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -131.35 158.94 73.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.19 16.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.412 HD23 ' CD1' ' A' ' 95' ' ' LEU . 1.3 pt? -129.76 175.92 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.28 145.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . 0.403 ' OE1' ' OD2' ' A' ' 80' ' ' ASP . 8.4 pt20 -130.67 133.1 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 t -100.74 136.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tt -126.76 116.04 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.2 t -85.91 152.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -69.67 132.06 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.31 9.79 44.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.01 -165.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.2 -150.49 27.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -144.95 144.65 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -144.24 165.53 27.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.6 OUTLIER -104.0 135.44 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' PHE . . . . . 0.595 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 92.8 m-85 -131.11 170.25 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.0 159.13 35.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -23.92 13.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -99.46 1.85 44.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.16 -63.91 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 pp -96.82 160.12 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.25 168.58 11.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.448 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 1.4 mp -77.31 136.43 38.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.73 150.9 84.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -54.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.456 0.169 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.7 tp -72.48 143.83 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -84.02 99.64 10.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.1 144.74 29.29 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 90.02 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.8 p -77.58 -24.81 49.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.946 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 tp -115.06 142.59 46.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.0 mt -117.2 130.17 72.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.434 1.084 . . . . 0.0 109.373 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.94 142.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.5 p -118.37 167.07 11.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.231 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -64.6 179.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.562 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.3 118.93 10.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.6 t -81.26 132.43 31.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 132.02 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.07 59.08 1.0 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.16 162.68 52.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 109.302 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -54.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.738 . . . . 0.0 111.005 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 27.3 m -132.61 177.51 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -103.7 152.54 21.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.314 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.447 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 25.4 mm -63.54 138.42 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.78 6.41 89.07 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -85.49 137.31 32.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 0.731 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -94.22 119.84 33.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 86' ' ' VAL . 30.9 m -111.93 171.96 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -120.2 121.55 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.3 t -66.02 114.3 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.412 ' CG1' ' O ' ' A' ' 100' ' ' GLU . 2.7 p -60.03 140.72 90.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.42 ' O ' ' CD1' ' A' ' 60' ' ' LEU . 18.5 Cg_endo -74.95 -49.74 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.751 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 149.57 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -92.82 141.78 28.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 -41.41 5.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -90.54 -59.56 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.51 -41.14 0.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -88.25 132.49 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.419 HG21 ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -151.93 162.95 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.419 ' N ' HG21 ' A' ' 55' ' ' ILE . 38.2 t -104.69 118.05 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -72.28 -28.91 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -68.99 -49.32 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.459 ' O ' ' N ' ' A' ' 61' ' ' GLY . 28.2 m-85 -78.29 -19.71 53.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.42 ' CD1' ' O ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER -50.18 93.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.068 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 108.49 40.65 1.59 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.89 -177.38 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.29 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 m -149.28 115.4 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 1.157 . . . . 0.0 110.376 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.64 -176.17 14.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.43 HG22 ' N ' ' A' ' 66' ' ' VAL . 1.4 mt -113.53 150.62 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.43 ' N ' HG22 ' A' ' 65' ' ' ILE . 78.5 t -77.49 110.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.1 t -77.83 -35.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -130.88 145.98 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.56 HD23 ' CZ ' ' A' ' 71' ' ' PHE . 7.0 tt -111.25 153.08 26.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 5.3 m -82.65 105.07 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.217 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 19.9 m-85 -134.59 169.04 17.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.52 106.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.384 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.411 ' N ' ' HD2' ' A' ' 73' ' ' ASP . 1.2 m-20 -75.44 114.19 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.404 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.93 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.81 -3.42 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -127.18 11.05 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 59.99 148.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.562 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.08 154.09 12.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.562 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.7 Cg_endo -74.88 -57.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.042 -2.482 . . . . 0.0 111.041 -0.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -115.36 -28.08 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.44 160.07 69.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.186 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.07 7.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -123.39 176.02 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.433 ' N ' HG13 ' A' ' 70' ' ' VAL . 1.1 pt -75.12 144.9 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.78 134.35 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 t -105.57 133.22 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.043 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tt -117.71 119.77 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 91' ' ' LEU . 53.6 t -81.59 152.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.14 117.01 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.87 -9.07 60.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.455 ' HB2' ' CG1' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -102.79 -167.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.35 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.18 -159.81 34.25 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -135.27 138.14 43.22 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 0.771 . . . . 0.0 110.204 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -132.45 165.75 23.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.444 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -102.27 124.51 47.98 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.402 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.5 m-85 -121.06 166.68 13.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.98 158.02 35.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.131 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -15.39 21.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -99.2 -5.68 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 110.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.412 ' O ' ' CG1' ' A' ' 47' ' ' VAL . 0.3 OUTLIER -87.53 -65.64 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.0 pp -97.19 163.67 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -127.01 168.23 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.49 120.66 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.29 150.93 7.83 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.37 1.044 . . . . 0.0 109.236 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.483 0.182 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -40.65 154.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -92.56 80.2 4.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.607 1.192 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.49 139.57 29.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 109.63 2.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.543 1.812 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.5 p -51.94 -42.46 62.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.81 142.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pp -101.88 148.56 7.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -131.86 137.67 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.9 m -118.68 120.17 36.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -162.71 172.08 15.83 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.12 . . . . 0.0 109.587 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.77 124.95 48.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 29.6 t -89.26 140.39 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 135.87 57.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.36 70.08 0.97 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.554 1.159 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.53 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -150.04 160.44 33.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.573 0.808 . . . . 0.0 109.214 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.464 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.1 Cg_endo -75.1 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.412 1.743 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 31.2 m -121.05 177.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -107.96 144.23 35.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.7 mm -53.48 131.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.26 81.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -82.29 132.59 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -93.37 114.71 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.3 m -108.42 172.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -119.34 114.07 21.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.43 126.03 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.47 161.08 3.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -109.11 171.8 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.434 ' N ' HG12 ' A' ' 55' ' ' ILE . 45.6 t -62.99 138.6 58.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.86 8.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.35 -56.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.68 -68.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -60.73 133.9 56.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 0.0 110.311 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.434 HG12 ' N ' ' A' ' 50' ' ' SER . 5.2 tp -165.33 162.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.385 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.0 m -141.31 131.31 24.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -74.36 -19.69 60.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.374 1.046 . . . . 0.0 110.315 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 9.7 mtt180 -67.86 -48.74 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 110.254 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.545 ' CD1' HG21 ' A' ' 88' ' ' VAL . 54.4 m-85 -89.54 21.83 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 tt -66.69 91.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.54 36.85 7.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -110.84 -176.28 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.471 HG22 ' CD ' ' A' ' 43' ' ' LYS . 36.6 m -147.9 122.84 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.63 -177.87 15.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.42 HG21 ' N ' ' A' ' 66' ' ' VAL . 1.7 mt -115.01 157.06 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.42 ' N ' HG21 ' A' ' 65' ' ' ILE . 43.2 t -87.22 105.06 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.383 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.95 -30.46 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -135.01 136.86 8.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 8.7 tt -100.93 161.87 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.511 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 4.8 m -90.83 103.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -135.71 169.03 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -42.48 106.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.37 120.33 80.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.36 35.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 12.5 t -130.22 11.13 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' THR . 21.4 mt-30 59.55 150.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.597 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.72 155.75 13.07 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.939 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.546 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -74.99 -57.18 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.988 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.64 -27.71 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.5 166.94 25.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.465 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.2 tp -105.19 176.43 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.57 144.7 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -137.03 128.31 28.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 0.0 110.254 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.6 t -96.17 139.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.6 tt -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.545 HG21 ' CD1' ' A' ' 59' ' ' PHE . 42.8 t -96.38 152.95 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.01 122.02 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.25 5.32 76.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -115.99 -166.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.352 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.54 -158.85 30.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.3 133.24 27.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 110.334 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.14 166.48 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -101.65 128.23 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -125.99 170.23 11.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -98.1 158.71 32.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.464 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.09 -17.02 19.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 -8.57 24.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -65.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.0 pp -97.03 154.72 17.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.205 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.97 168.22 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tt -82.43 124.45 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.65 154.67 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.58 1.832 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.325 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.544 0.211 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -41.54 113.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -82.97 -171.63 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 110.236 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -40.5 153.69 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.372 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 176.85 9.38 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 t -55.91 -28.17 55.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.01 129.69 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.9 128.6 40.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.484 ' C ' ' CD1' ' A' ' 29' ' ' ILE . 0.0 OUTLIER -100.66 115.99 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -113.48 141.61 46.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.37 -179.91 5.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.67 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.89 171.19 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 95.0 t -128.85 135.06 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.68 144.36 18.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.93 -37.03 4.03 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.502 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -42.14 160.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.346 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.467 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -75.01 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 103' ' ' LEU . 25.1 m -124.4 177.41 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -110.67 141.86 43.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.437 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 27.4 mm -53.54 138.69 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.35 22.6 75.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -98.39 133.54 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.456 ' HE2' ' CG2' ' A' ' 63' ' ' THR . 13.2 tttt -93.55 117.0 29.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -113.96 171.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -117.8 117.21 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.453 HG11 ' CE1' ' A' ' 96' ' ' PHE . 97.4 t -67.62 114.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -55.29 160.73 3.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.506 1.793 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -117.62 130.35 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -71.43 165.39 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.06 -16.37 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.06 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.51 -53.49 0.07 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.0 t -58.91 139.02 57.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.4 tp -169.03 165.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -139.66 117.91 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.588 1.18 . . . . 0.0 110.119 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -69.38 -7.86 41.31 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -48.02 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -89.53 13.99 12.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.41 94.33 0.06 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.1 8.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.585 1.178 . . . . 0.0 111.058 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.33 173.42 6.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.456 ' CG2' ' HE2' ' A' ' 43' ' ' LYS . 2.8 m -134.98 112.32 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.37 -179.57 15.97 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 66' ' ' VAL . 1.9 mt -113.09 158.46 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 109.347 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.42 ' N ' HG23 ' A' ' 65' ' ' ILE . 60.6 t -85.19 114.17 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.1 t -79.14 -38.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.19 147.38 18.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.579 HD21 ' CZ ' ' A' ' 71' ' ' PHE . 5.9 tt -108.69 158.28 17.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.237 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.426 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 13.0 m -90.03 105.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.579 ' CZ ' HD21 ' A' ' 69' ' ' LEU . 31.9 m-85 -134.19 169.14 17.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.925 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.7 p-10 -42.43 106.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.97 113.49 18.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.418 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.87 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.91 -2.73 57.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.1 t -128.93 13.28 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.25 147.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.549 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -164.41 153.25 11.41 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 111.059 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.03 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.987 -0.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.11 -28.34 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 85' ' ' GLN . 1.6 m-20 -132.56 166.04 31.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.426 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.8 tp -109.61 175.79 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.463 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -75.59 145.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.443 ' NE2' ' OD2' ' A' ' 81' ' ' ASP . 1.4 pt20 -135.5 143.12 45.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 110.38 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.14 143.04 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 tt -132.89 120.89 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.5 t -91.37 151.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 121.15 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.66 -10.3 59.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -166.32 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.52 -147.28 21.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -140.38 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.264 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.435 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.0 OUTLIER -101.83 133.27 46.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.453 ' CE1' HG11 ' A' ' 46' ' ' VAL . 99.2 m-85 -133.04 170.43 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.077 . . . . 0.0 110.958 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -97.76 158.92 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.467 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.06 -20.05 17.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.761 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 2.53 45.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -93.96 -61.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.401 HD22 ' CB ' ' A' ' 96' ' ' PHE . 4.3 pp -97.03 159.28 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.38 168.49 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 38' ' ' VAL . 0.3 OUTLIER -77.21 126.04 30.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.04 153.77 64.46 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.259 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.55 0.214 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.8 tp -135.33 147.76 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.9 141.21 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -117.49 86.06 21.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 111.01 3.23 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.2 p -111.8 -51.03 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.055 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.71 169.76 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.33 133.89 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.4 pt -75.65 145.72 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.1 p -120.97 136.94 54.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.302 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.03 175.34 14.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.412 1.07 . . . . 0.0 109.702 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.07 148.82 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.511 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 49.9 t -101.9 149.42 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -53.47 131.12 37.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.99 83.05 1.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -159.29 155.88 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.368 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 17.2 m -129.77 177.47 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.14 157.64 16.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.0 143.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.03 10.24 84.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.72 141.56 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 0.717 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -97.68 118.08 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 86' ' ' VAL . 28.3 m -110.69 169.92 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -117.98 116.18 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.9 t -65.92 119.44 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 13.2 p -62.5 121.45 67.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.641 1.213 . . . . 0.0 109.326 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.88 17.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -111.39 143.77 41.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -97.15 134.86 39.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -112.96 -45.14 3.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.43 -69.76 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.5 -51.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 t -65.75 134.07 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 110.429 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -166.25 161.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 26.9 t -126.69 116.1 20.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.474 1.109 . . . . 0.0 109.937 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' LEU . 57.7 tt0 -60.35 -39.26 86.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -53.2 -49.58 66.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.472 ' CE1' HD22 ' A' ' 91' ' ' LEU . 42.2 m-85 -89.13 19.35 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 57' ' ' GLN . 7.8 tp -54.72 99.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.57 48.95 67.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -179.76 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.783 . . . . 0.0 110.22 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.72 115.73 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.11 176.02 20.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.153 . . . . 0.0 111.013 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.459 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 1.4 mm -103.22 156.94 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 68' ' ' GLY . 24.6 t -88.5 112.52 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.8 t -79.57 -32.72 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.454 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -130.9 146.05 17.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.555 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 7.1 tt -110.46 156.51 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.485 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 18.0 m -87.3 106.74 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 29.9 m-85 -134.39 169.09 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.45 106.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.447 ' HD2' ' N ' ' A' ' 73' ' ' ASP . 1.2 m-20 -78.58 114.68 45.4 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -3.1 37.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.0 t -126.91 9.15 6.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.592 1.182 . . . . 0.0 110.354 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 59.3 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.601 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.52 154.17 12.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.545 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.96 -57.85 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.014 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.39 -27.95 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.216 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -130.4 156.47 79.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.206 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -19.02 18.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.932 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -131.03 175.8 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.48 144.82 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 8.1 pt20 -130.87 133.73 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.537 ' CG2' ' CG2' ' A' ' 44' ' ' VAL . 2.2 t -105.01 147.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' N ' HG12 ' A' ' 86' ' ' VAL . 8.9 tt -134.81 118.35 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.39 150.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.12 130.27 42.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.78 1.92 59.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.614 1.196 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -116.56 -165.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.78 -153.16 28.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -140.91 136.94 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 110.335 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -134.81 164.63 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.24 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.38 127.22 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 91.4 m-85 -124.23 170.35 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -96.03 158.26 34.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.72 19.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.11 -6.92 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.28 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.97 -62.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.5 pp -97.22 167.78 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -128.26 168.31 15.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.8 tp -77.54 131.42 37.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.32 154.4 84.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.2 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.537 0.208 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -112.96 136.77 48.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.29 146.58 26.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.87 127.93 50.08 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.09 7.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.418 1.746 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.5 t -92.94 -43.42 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.062 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.69 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.163 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 mt -102.32 122.23 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.421 HD12 ' HE2' ' A' ' 31' ' ' HIS . 1.7 pp -80.38 139.66 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.0 p -105.07 149.84 25.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.362 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.421 ' HE2' HD12 ' A' ' 29' ' ' ILE . 10.3 m170 -104.88 177.43 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.652 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.04 138.04 57.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 46.8 t -78.33 146.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.44 131.33 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.598 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 95.69 90.04 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.567 1.167 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.402 ' CB ' HD22 ' A' ' 69' ' ' LEU . . . -166.24 162.28 12.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.466 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -75.06 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.39 1.731 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.415 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 15.7 m -130.06 177.3 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.382 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -109.77 140.99 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.2 mm -55.63 132.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.61 17.89 79.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -92.66 143.94 25.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.56 116.04 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.4 m -114.87 171.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.442 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.1 ttpt -120.73 119.63 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.481 HG13 ' CE1' ' A' ' 96' ' ' PHE . 53.7 t -67.14 117.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.386 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.5 p -55.36 128.82 68.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -46.32 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.04 144.01 30.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -112.07 90.22 3.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.72 -42.31 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -176.59 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.12 -67.86 1.74 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.85 142.48 53.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.1 tp -165.67 166.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -145.8 114.93 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -75.96 -13.72 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.275 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 91' ' ' LEU . 0.5 OUTLIER -81.55 -29.98 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.441 ' CE1' HD23 ' A' ' 91' ' ' LEU . 37.9 m-85 -103.5 13.32 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 110.934 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 tp -60.03 116.1 3.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.08 32.37 83.94 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -99.62 -171.49 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.1 m -156.52 120.11 4.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.505 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.76 -165.46 10.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 66' ' ' VAL . 1.2 mt -124.21 151.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' HG22 ' A' ' 65' ' ' ILE . 40.4 t -80.66 113.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.57 -39.36 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.29 151.22 21.02 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 0.0 111.047 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.529 HD23 ' CE2' ' A' ' 71' ' ' PHE . 0.5 OUTLIER -98.82 176.46 5.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 0.823 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 4.3 m -115.94 104.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.598 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -135.13 169.7 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.389 1.056 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -41.88 106.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.46 ' HD2' ' N ' ' A' ' 73' ' ' ASP . 7.7 m-20 -76.49 116.77 59.4 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 109.259 -179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.43 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -74.95 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.489 1.783 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.25 -1.75 28.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 t -128.31 7.49 5.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.43 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 2.1 mt-30 58.7 154.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.57 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -164.52 153.67 11.62 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -59.98 0.1 OUTLIER 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.972 -0.069 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -119.45 -28.99 5.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.75 160.3 47.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.06 5.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.416 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.9 tp -129.99 175.54 8.79 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 1.131 . . . . 0.0 109.389 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.475 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.3 pt -75.52 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -132.85 133.31 43.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 t -103.76 136.1 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.3 tt -123.94 122.59 38.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.65 151.44 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 126.34 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.88 -1.34 63.17 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -112.83 -168.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.606 0.827 . . . . 0.0 109.353 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.72 -150.09 26.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -142.76 143.22 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 0.763 . . . . 0.0 110.341 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.7 t70 -142.04 165.45 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -103.6 132.28 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.481 ' CE1' HG13 ' A' ' 46' ' ' VAL . 98.1 m-85 -126.47 169.94 12.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -93.39 157.82 38.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.466 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -20.94 16.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -99.08 5.56 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.74 -61.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.9 pp -97.12 166.38 11.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.98 168.35 16.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 3.8 tp -77.5 131.76 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.01 152.58 90.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.05 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.416 1.745 . . . . 0.0 110.963 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 tmm? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.487 0.184 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.9 tp -153.19 44.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.263 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 46.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.01 144.81 98.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 109.14 2.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.588 1.836 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -104.13 -43.45 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.466 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 9.3 mp -73.07 131.28 41.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.1 mm -106.18 112.88 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 27' ' ' LEU . 5.1 mp -144.17 121.81 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.6 156.17 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 108.279 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -142.36 171.0 14.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.48 145.43 55.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.493 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.8 t -118.35 135.37 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.91 125.3 22.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.405 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.82 65.27 0.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.457 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -147.34 159.34 42.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.505 1.792 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 22.2 m -131.96 177.74 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -99.38 148.4 24.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 110.353 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.415 HD11 ' CB ' ' A' ' 69' ' ' LEU . 3.5 mm -59.37 137.99 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.17 17.01 73.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -81.84 145.07 30.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -93.43 109.43 21.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.8 m -109.75 171.9 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -126.43 119.78 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.97 133.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.4 p -70.35 136.25 86.5 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.214 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -36.95 2.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.803 . . . . 0.0 111.09 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 5.5 m170 -91.13 158.37 16.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.586 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -117.3 125.49 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -111.91 -45.48 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 53' ' ' GLY . 4.1 t70 -71.63 -91.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -175.87 33.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -149.88 134.26 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 8.1 tp -171.66 158.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -136.91 118.38 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -32.32 71.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -62.02 -35.89 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.56 ' CD1' HG21 ' A' ' 88' ' ' VAL . 28.5 m-85 -101.3 18.69 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 12.7 tp -60.07 110.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.86 28.39 73.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.389 1.056 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 172.4 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 110.312 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 m -141.01 115.05 9.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.72 -179.33 16.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mt -111.48 154.45 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.791 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 68' ' ' GLY . 58.9 t -89.41 105.4 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.465 HG11 ' CG ' ' A' ' 85' ' ' GLN . 8.9 p -77.42 -23.17 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -135.79 134.99 7.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.57 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 8.1 tt -107.4 158.24 17.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.539 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 18.8 m -88.72 104.99 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.57 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 5.8 m-85 -134.68 169.16 17.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.36 106.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.363 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.94 116.64 55.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.257 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.453 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.91 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.546 1.814 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.99 -7.24 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' CG2' ' A' ' 76' ' ' THR . 4.8 m -123.51 12.16 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.44 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' THR . 2.7 mt-30 59.79 149.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.592 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.7 154.75 12.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -58.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.958 -0.056 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.95 -28.0 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.47 163.99 46.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -53.48 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -100.55 175.92 5.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.452 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.29 144.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.465 ' CG ' HG11 ' A' ' 67' ' ' VAL . 3.4 pt20 -137.09 130.11 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.452 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -99.0 146.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.467 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 7.5 tt -134.09 117.63 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.56 HG21 ' CD1' ' A' ' 59' ' ' PHE . 47.3 t -85.54 152.64 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.24 133.63 48.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.13 11.15 44.33 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.375 1.047 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -121.16 -165.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 0.705 . . . . 0.0 109.266 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.78 -155.02 30.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 6.4 pt-20 -142.58 134.12 26.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 2.0 t70 -132.31 166.65 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.412 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.79 130.54 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.452 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 92.7 m-85 -126.34 162.35 25.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -91.28 159.74 38.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.2 19.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.85 -0.94 38.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -83.59 -70.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 101' ' ' LEU . 0.0 OUTLIER -100.27 168.98 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.203 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -118.05 160.75 20.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.559 1.162 . . . . 0.0 110.228 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.5 tt -80.55 126.42 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.1 147.19 85.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 109.349 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -54.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.479 0.18 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -174.61 124.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -121.37 162.05 21.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -129.03 144.82 54.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.627 1.205 . . . . 0.0 109.265 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 158.7 41.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -39.51 -40.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -49.6 114.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 pt -104.72 145.83 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.31 147.62 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.8 m -119.6 160.38 22.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 108.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -103.36 175.97 5.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.38 132.49 34.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 26.9 t -84.84 151.74 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' N ' HG13 ' A' ' 33' ' ' VAL . 1.7 p30 -69.43 140.94 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.512 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 85.7 88.92 0.93 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.475 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -165.59 159.2 13.56 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.584 0.814 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.99 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 11.7 m -124.49 177.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -112.25 144.13 42.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.442 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 41.9 mm -56.14 130.45 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.38 17.32 80.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.81 142.81 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 0.778 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 22.8 tttt -93.47 123.86 37.07 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.598 1.186 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 18.9 m -126.64 172.38 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.76 121.45 40.86 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.08 120.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 p -60.97 130.78 91.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -41.65 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.524 1.802 . . . . 0.0 110.931 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.94 140.97 58.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.508 1.13 . . . . 0.0 109.534 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.1 t -95.98 109.28 21.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -108.29 -44.71 4.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.69 159.77 14.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.32 -37.39 39.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.04 132.54 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 3.2 tp -161.32 165.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.23 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 t -145.87 120.36 9.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -79.19 -18.08 53.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -46.25 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.1 m-85 -83.74 -11.8 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 99.87 46.02 1.98 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.405 1.065 . . . . 0.0 111.028 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -135.23 -168.4 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 76.8 m -156.6 115.94 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.5 -176.46 14.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 mt -113.01 152.04 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.459 ' CG2' HG22 ' A' ' 38' ' ' VAL . 38.5 t -89.27 116.65 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.44 -60.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.178 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -108.0 156.05 15.97 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.525 HD22 ' CE2' ' A' ' 71' ' ' PHE . 1.0 OUTLIER -106.13 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.483 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.582 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -136.93 169.41 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.11 106.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -68.59 114.11 20.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.46 -0.1 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.1 t -129.56 9.71 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.29 148.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.351 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.584 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.74 154.62 12.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.556 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 17.9 Cg_endo -75.06 -59.36 0.12 OUTLIER 'Cis proline' 0 C--N 1.361 1.218 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.924 -0.064 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.03 -28.01 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.1 165.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.483 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 0.9 OUTLIER -113.48 175.14 5.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.2 pt -75.42 142.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.595 1.185 . . . . 0.0 109.326 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -136.58 129.69 31.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.47 136.46 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -125.24 124.45 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 17.0 t -93.48 151.96 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.38 123.06 19.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.77 -7.55 62.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -166.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 0.81 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.0 -157.8 28.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.413 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 0.8 OUTLIER -136.86 140.17 42.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 5.7 t70 -137.39 166.63 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.56 134.54 44.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.47 ' CB ' HD22 ' A' ' 101' ' ' LEU . 93.4 m-85 -130.54 170.44 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -95.12 158.28 35.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -17.97 18.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.22 -5.24 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -85.37 -64.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.47 HD22 ' CB ' ' A' ' 96' ' ' PHE . 4.6 pp -97.04 161.74 13.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.054 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -119.63 168.45 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.3 tp -77.33 124.85 28.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.95 149.19 6.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.217 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -55.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.364 1.718 . . . . 0.0 110.969 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.7 ptt? . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.5 tp -162.89 135.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -158.18 122.38 4.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -128.45 141.44 41.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.224 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 161.63 38.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.434 1.755 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -123.31 -43.43 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -159.71 143.27 14.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.353 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.4 mp -130.76 137.35 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.55 HG12 ' HE2' ' A' ' 31' ' ' HIS . 0.6 OUTLIER -103.53 136.46 36.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.91 140.04 49.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.413 1.071 . . . . 0.0 108.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' HE2' HG12 ' A' ' 29' ' ' ILE . 8.7 m170 -119.31 176.29 5.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.586 1.179 . . . . 0.0 109.554 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.3 137.82 54.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 t -109.56 131.61 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -50.49 131.91 25.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.82 79.2 1.45 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.471 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . . . -161.47 159.44 23.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -33.33 4.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.7 m -126.78 177.99 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -119.62 144.92 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.94 127.09 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' HA2' ' CG2' ' A' ' 65' ' ' ILE . . . 77.35 11.36 85.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.579 1.174 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.24 141.56 39.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 25.7 tttt -93.96 116.3 28.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.244 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' O ' ' CG2' ' A' ' 63' ' ' THR . 27.7 m -115.33 172.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.8 ttpt -125.36 122.49 36.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.06 113.78 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -55.32 160.87 3.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.11 119.7 36.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -69.3 174.15 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' OG ' ' A' ' 50' ' ' SER . 8.3 mt-10 -103.62 -24.46 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -73.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.94 -45.42 0.08 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.9 t -62.07 134.2 56.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 0.816 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -159.56 159.63 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.1 t -127.39 110.45 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.932 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -65.37 -27.45 68.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -65.53 -39.57 91.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . 25.6 m-85 -91.39 -19.56 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.668 1.23 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 tt -49.21 94.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 106.64 36.74 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.603 1.189 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -168.66 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.407 ' CG2' ' O ' ' A' ' 44' ' ' VAL . 19.4 m -157.2 113.14 2.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.186 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.8 -177.4 16.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.415 ' CG2' ' HA2' ' A' ' 41' ' ' GLY . 1.3 mt -118.24 150.48 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.6 t -84.72 116.34 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.643 1.214 . . . . 0.0 109.37 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 12.1 p -79.79 -33.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.37 -145.04 7.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.471 ' CD2' ' HB3' ' A' ' 36' ' ' ALA . 1.3 tt -174.66 175.03 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 0.719 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.474 HG13 ' CG2' ' A' ' 84' ' ' ILE . 13.0 m -106.0 103.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.199 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -136.46 169.21 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 106.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -81.79 115.64 58.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.436 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.7 Cg_endo -74.98 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.22 -4.38 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 10.4 t -124.34 3.11 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.436 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 33.3 mt-30 59.36 151.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.376 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.563 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -158.77 154.65 23.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.555 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.98 -58.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.028 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -116.77 -27.97 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.59 161.89 56.37 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -34.02 4.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.463 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.5 pt? -116.04 175.9 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.474 ' CG2' HG13 ' A' ' 70' ' ' VAL . 1.2 pt -74.89 145.18 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.449 ' NE2' ' OD1' ' A' ' 80' ' ' ASP . 0.6 OUTLIER -130.37 139.1 50.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.97 141.85 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.468 ' CG ' ' HB3' ' A' ' 93' ' ' GLU . 9.7 tt -132.28 121.53 23.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.5 t -88.63 153.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.368 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.87 128.29 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.568 1.168 . . . . 0.0 110.312 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.0 6.89 61.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.5 -170.08 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.12 -160.57 35.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' A' ' 87' ' ' LEU . 6.1 pt-20 -141.12 138.25 33.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -132.39 166.84 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.54 128.85 47.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.28 158.49 52.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.85 13.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -99.16 3.17 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -88.38 -68.67 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.4 pp -97.0 160.58 14.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.613 1.195 . . . . 0.0 109.292 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.53 168.36 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -77.79 125.94 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.85 97.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.573 0.225 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 tp -160.03 125.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.232 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.55 108.93 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.19 138.71 81.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 95.49 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.78 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -50.62 -48.96 57.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.1 tt -172.78 87.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.9 pt -83.34 138.02 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.387 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.3 pp -133.35 136.75 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.9 m -115.48 121.03 41.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.296 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -67.44 -179.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.603 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.21 134.02 53.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.561 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 25.2 t -111.3 134.67 52.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 144.68 26.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.176 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.21 -46.45 1.17 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.576 ' HB1' ' CE1' ' A' ' 71' ' ' PHE . . . -41.29 158.77 0.18 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.551 0.795 . . . . 0.0 109.301 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.46 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 16.8 m -133.12 177.4 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -93.98 170.97 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 mm -77.03 141.54 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.09 10.66 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.99 141.84 42.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -95.07 113.71 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.65 171.89 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -125.58 115.84 20.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 21.0 m -67.14 125.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.628 1.205 . . . . 0.0 109.231 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.19 129.94 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.787 . . . . 0.0 111.071 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 150.0 9.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.9 t -115.08 98.61 6.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.09 -40.49 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -175.07 3.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.69 -76.46 0.68 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 t -73.62 132.34 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -153.5 158.45 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.406 ' N ' HG22 ' A' ' 55' ' ' ILE . 58.2 m -104.4 121.56 43.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.177 . . . . 0.0 109.963 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.57 -28.78 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -76.64 -27.02 55.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.207 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.554 ' CD1' HG21 ' A' ' 88' ' ' VAL . 23.7 m-85 -99.23 17.53 19.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 70.56 48.09 38.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.22 -176.08 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 m -147.37 122.85 10.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.4 -173.76 16.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.41 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -113.58 154.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG1' ' O ' ' A' ' 68' ' ' GLY . 74.8 t -84.04 105.58 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.8 -36.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -128.3 147.99 17.65 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.59 HD22 ' CZ ' ' A' ' 71' ' ' PHE . 6.3 tt -113.66 163.21 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 0.803 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.475 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 0.2 OUTLIER -96.05 104.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.59 ' CZ ' HD22 ' A' ' 69' ' ' LEU . 12.4 m-85 -134.83 169.17 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.06 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -42.4 106.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.34 114.99 49.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -164.2 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.58 -3.03 38.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.4 t -127.36 9.59 6.67 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.76 153.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.56 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.23 154.46 12.81 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.56 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.93 -59.41 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.041 -0.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.24 -28.62 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -123.4 156.12 64.37 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.356 1.035 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.463 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.6 tp -111.53 174.97 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.4 144.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.382 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -133.19 136.22 45.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 t -113.26 122.35 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 7.2 tt -108.31 124.73 50.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.554 HG21 ' CD1' ' A' ' 59' ' ' PHE . 49.1 t -88.03 151.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 130.29 41.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.247 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.96 5.86 54.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -169.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.16 -155.05 31.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.454 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 2.2 pt-20 -139.67 150.06 44.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.226 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.431 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.7 t70 -145.88 167.03 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -101.15 130.57 47.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -125.61 162.81 24.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.405 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 4.7 m-85 -89.3 159.42 44.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -20.66 16.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.957 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -99.66 -4.9 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.405 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 4.2 mm-40 -83.68 -61.43 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.3 pp -97.09 170.5 9.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.364 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -136.04 167.5 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.213 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.0 tp -77.58 131.84 38.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 152.37 3.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -54.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.552 1.817 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.591 0.234 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -174.54 124.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 -179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -147.17 113.75 6.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -89.29 122.4 68.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.395 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 104.17 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -112.3 -44.14 3.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.421 1.075 . . . . 0.0 109.985 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.53 112.95 10.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.233 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pp -102.28 128.07 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.4 mp -106.11 130.25 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.61 132.31 54.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 108.335 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -96.01 175.09 6.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.562 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.15 152.49 20.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.558 1.161 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.588 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 49.7 t -129.47 143.58 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.81 115.31 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.84 64.59 0.32 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.411 1.07 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.467 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -145.37 158.93 50.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.42 0.717 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.478 1.778 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 m -125.64 177.55 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.683 1.24 . . . . 0.0 109.246 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 6.9 tmm_? -105.65 157.37 17.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.367 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 mm -63.72 132.5 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.37 2.9 81.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.376 1.047 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -67.88 141.56 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.3 OUTLIER -93.22 120.4 33.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -115.66 171.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -128.7 116.17 19.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 59.2 t -67.84 127.52 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.381 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.3 m -55.36 160.33 3.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.15 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.44 1.758 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -112.85 148.22 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.594 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.428 ' N ' HG12 ' A' ' 55' ' ' ILE . 29.9 t -47.7 146.55 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.84 -26.43 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.072 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.6 OUTLIER -130.43 -49.1 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.74 -64.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.22 133.61 56.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 0.744 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.428 HG12 ' N ' ' A' ' 50' ' ' SER . 4.4 tp -171.77 164.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -139.49 118.6 12.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.26 -15.85 63.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -79.53 -40.29 29.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.237 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -94.01 17.62 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.64 102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.88 36.8 61.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.06 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.234 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.6 m -127.75 126.19 41.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.358 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.57 -158.74 7.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -135.46 153.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.438 ' CG1' HG22 ' A' ' 84' ' ' ILE . 40.1 t -82.4 140.5 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.427 ' CG2' ' CG ' ' A' ' 85' ' ' GLN . 41.3 t -88.79 -47.67 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.54 -133.77 4.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.424 1.078 . . . . 0.0 110.976 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.492 ' HA ' ' CG2' ' A' ' 84' ' ' ILE . 0.6 OUTLIER -167.95 163.28 13.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 9.0 m -99.97 102.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.588 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 0.6 OUTLIER -137.71 169.92 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -41.75 106.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.02 114.87 20.16 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.434 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -164.19 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.49 -5.09 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.414 ' O ' ' CG2' ' A' ' 76' ' ' THR . 5.4 m -127.2 14.8 7.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.195 . . . . 0.0 110.429 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER 60.0 147.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.86 153.78 11.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.551 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.09 -59.31 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.986 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.34 -28.1 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.91 169.08 14.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.605 1.845 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.476 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.3 pt? -131.75 176.56 8.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.492 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -74.25 144.82 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.384 1.052 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.427 ' CG ' ' CG2' ' A' ' 67' ' ' VAL . 1.0 OUTLIER -132.99 127.58 34.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 96' ' ' PHE . 2.9 t -96.93 133.15 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CG ' ' HB3' ' A' ' 93' ' ' GLU . 8.7 tt -124.54 121.95 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 24.9 t -93.41 150.21 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.085 . . . . 0.0 109.337 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.91 130.29 41.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.69 61.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.8 -165.33 1.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 0.75 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.0 -164.66 30.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' HB3' ' CG ' ' A' ' 87' ' ' LEU . 0.7 OUTLIER -133.88 138.36 45.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 0.714 . . . . 0.0 110.305 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.8 t70 -135.23 166.67 22.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.51 127.77 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.558 ' CE1' ' HB ' ' A' ' 86' ' ' VAL . 68.7 m-85 -123.84 160.82 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.14 159.24 48.44 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.25 18.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.63 -1.74 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 52' ' ' ASP . 4.8 mm-40 -83.26 -69.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.225 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.0 pp -96.99 168.18 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.22 164.74 15.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 110.223 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.406 HD22 ' N ' ' A' ' 104' ' ' ALA . 0.9 OUTLIER -77.49 131.08 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.406 ' N ' HD22 ' A' ' 103' ' ' LEU . . . -95.26 152.24 39.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.468 0.175 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.3 tp -122.84 42.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.191 . . . . 0.0 109.298 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -104.52 -58.47 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 136.84 52.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.368 1.042 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.72 5.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 82.5 p -71.27 -24.48 62.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.941 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -153.79 158.96 41.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.231 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -114.36 138.22 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 pp -86.12 145.1 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -147.02 161.53 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 108.337 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -152.78 166.36 32.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -78.15 147.79 34.4 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.592 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 47.3 t -120.45 156.8 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.68 129.34 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.591 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.31 87.11 1.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.572 1.17 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.459 ' HB1' ' CD2' ' A' ' 69' ' ' LEU . . . -164.14 158.88 16.34 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -74.99 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.428 ' CG2' HG21 ' A' ' 66' ' ' VAL . 25.5 m -124.1 177.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -111.46 154.8 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.439 1.087 . . . . 0.0 110.246 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.6 mm -60.92 133.67 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.064 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.17 82.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -71.97 133.03 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.9 ttpt -92.98 114.07 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 34.7 m -108.03 171.31 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -122.55 113.94 19.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.452 HG11 ' CE1' ' A' ' 96' ' ' PHE . 42.9 t -66.64 123.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.05 157.4 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.546 1.814 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -106.31 148.63 27.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.474 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 26.6 t -53.44 145.03 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.915 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.21 -34.44 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.03 -60.76 1.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.389 1.056 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.52 -63.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.6 t -61.85 138.76 58.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.474 ' CG2' ' HB2' ' A' ' 50' ' ' SER . 8.3 tp -171.44 156.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.3 t -129.03 121.38 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -64.98 -19.54 66.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -71.49 -47.92 52.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -88.42 18.33 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.49 99.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.65 24.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.408 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -109.49 163.11 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.363 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.4 m -125.34 126.42 45.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.95 -174.36 14.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.409 HG22 ' N ' ' A' ' 66' ' ' VAL . 1.6 mt -118.81 160.47 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.428 HG21 ' CG2' ' A' ' 38' ' ' VAL . 45.0 t -85.21 139.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.36 -43.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.51 -131.19 3.23 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.537 HD23 ' CE2' ' A' ' 71' ' ' PHE . 0.9 OUTLIER -169.7 173.21 6.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 0.746 . . . . 0.0 109.237 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 24.3 m -110.06 103.16 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.592 ' CE2' ' HB ' ' A' ' 33' ' ' VAL . 1.5 m-85 -136.92 169.86 17.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 111.05 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 106.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.81 114.47 32.73 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.403 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.09 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.51 -0.53 42.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -128.36 7.94 5.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.564 1.165 . . . . 0.0 110.465 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.414 ' HG2' ' N ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER 61.7 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -155.76 154.53 28.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.562 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.07 -60.88 0.06 OUTLIER 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.022 0.059 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.39 -28.44 5.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.426 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 12.6 m-20 -122.95 160.81 47.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.461 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.9 pt? -121.96 175.63 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.49 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.3 pt -75.66 144.83 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.386 1.054 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.426 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 5.7 pt20 -137.17 138.42 40.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.406 1.066 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -105.93 139.49 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 9.3 tt -127.61 129.41 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.622 1.201 . . . . 0.0 109.308 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 32.5 t -99.42 149.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.32 124.16 23.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.244 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.76 -6.43 65.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -108.34 -165.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.744 . . . . 0.0 109.299 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -148.44 23.92 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -143.24 150.06 38.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.31 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.562 ' OD1' ' CZ ' ' A' ' 96' ' ' PHE . 3.3 t70 -148.08 166.96 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -106.26 134.9 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.562 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 92.0 m-85 -130.72 170.33 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.95 159.46 29.33 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -16.8 19.87 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.76 -4.33 30.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.28 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.98 -65.76 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.35 1.031 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.8 pp -96.69 169.25 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -123.73 168.41 12.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 7.8 tp -77.36 124.01 27.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.89 146.32 5.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.491 0.186 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 tp -79.48 137.9 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.83 172.9 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -61.67 142.85 94.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.94 -3.8 14.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.041 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' LEU . 40.9 t -38.75 -44.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -39.13 -57.35 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 25' ' ' PRO . 2.6 pt -99.24 150.7 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.8 mm -116.78 143.0 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.581 1.176 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.1 p -112.06 148.6 33.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.91 179.85 5.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 158.88 24.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.588 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 26.2 t -133.09 144.48 36.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -64.31 133.41 52.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 91.6 89.69 1.42 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.478 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -164.94 159.33 14.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.437 0.728 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.6 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 28.6 m -128.0 177.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -108.55 153.39 23.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 44.1 mm -61.24 133.66 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.93 8.55 84.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.439 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -80.76 137.6 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -94.4 112.73 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.1 m -103.84 171.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -123.22 113.64 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG11 ' CE1' ' A' ' 96' ' ' PHE . 69.0 t -67.29 117.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 m -54.99 160.57 2.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -117.48 140.7 49.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.612 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.5 t -86.34 156.24 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.14 6.46 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -123.58 -82.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.04 -55.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.15 136.85 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.769 . . . . 0.0 110.458 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 7.3 tp -171.43 164.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 m -141.49 114.66 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.947 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.02 -12.61 61.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -83.48 -36.3 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -97.86 18.58 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.64 90.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.45 8.32 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.396 1.06 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -101.9 178.56 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.6 m -150.27 111.85 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.08 -173.27 13.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.434 HG23 ' N ' ' A' ' 66' ' ' VAL . 1.3 mt -117.87 149.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.434 ' N ' HG23 ' A' ' 65' ' ' ILE . 23.9 t -77.93 126.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -71.98 -45.66 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.84 -124.83 2.82 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.482 ' HA ' ' CG2' ' A' ' 84' ' ' ILE . 0.7 OUTLIER -170.84 177.88 3.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -113.27 102.05 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.22 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.611 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 1.0 OUTLIER -137.97 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 111.092 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.13 106.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.85 114.42 32.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.2 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -167.13 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.567 1.825 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.67 -3.91 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.9 t -127.0 12.14 7.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.04 152.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.591 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.9 153.8 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.557 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -56.56 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.232 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.001 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -27.71 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' CG ' ' OE1' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -128.18 164.15 39.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -34.12 4.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.6 1.842 . . . . 0.0 110.981 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.469 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 0.4 OUTLIER -129.73 176.02 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.32 144.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.463 ' CB ' HD13 ' A' ' 95' ' ' LEU . 2.9 pt20 -135.74 131.36 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.498 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -104.04 143.28 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 8.2 tt -132.84 128.56 36.96 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.632 1.208 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 27.0 t -97.19 151.29 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.214 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 123.01 21.17 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 -9.81 59.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.148 . . . . 0.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 -168.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 -160.97 32.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 1.8 pt-20 -136.92 144.28 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 0.817 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -141.27 166.62 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 109.302 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.463 HD13 ' CB ' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -101.48 133.73 45.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.564 ' CE1' HG11 ' A' ' 46' ' ' VAL . 96.7 m-85 -124.83 170.46 11.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -97.19 159.27 31.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.85 -23.84 13.76 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.457 1.767 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.58 4.36 45.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -89.99 -66.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.422 HD23 ' CB ' ' A' ' 96' ' ' PHE . 4.6 pp -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -125.09 168.5 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.78 120.66 23.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -64.57 143.44 98.61 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 110.235 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.7 ptm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.539 0.209 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 tp -141.68 139.81 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -139.78 157.14 46.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -128.62 130.84 23.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 122.0 6.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.7 p -95.38 -50.29 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -154.88 171.57 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.0 mt -105.7 119.06 54.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.2 mt -88.1 150.74 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.31 159.5 28.7 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.54 1.15 . . . . 0.0 108.315 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -125.98 162.89 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.184 . . . . 0.0 109.65 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.2 165.87 22.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.596 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 35.9 t -132.66 142.25 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.87 122.09 15.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.62 88.01 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.461 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -165.34 158.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 17.8 Cg_endo -75.08 -44.88 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.3 m -121.59 176.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -110.69 138.59 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 27.5 mm -57.37 130.97 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.99 14.57 81.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.86 141.79 28.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 19.2 tttt -93.99 114.7 26.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.3 m -108.44 171.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -121.76 116.39 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.14 119.14 14.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.73 160.48 4.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.97 136.87 52.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 29.7 t -107.61 176.58 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -41.08 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 179.61 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.88 -36.18 61.37 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -67.23 131.96 46.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 110.426 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 6.7 tp -171.49 164.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -145.85 114.32 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.056 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -75.18 -17.83 60.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -75.57 -18.26 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.51 ' CD1' HG22 ' A' ' 88' ' ' VAL . 24.1 m-85 -112.46 19.25 17.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.8 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.466 ' HG2' ' CG2' ' A' ' 88' ' ' VAL . 0.0 OUTLIER -94.13 165.71 12.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.364 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -133.23 110.32 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.35 179.52 16.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.56 1.162 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.425 HG23 ' N ' ' A' ' 66' ' ' VAL . 2.0 mt -110.72 156.49 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' N ' HG23 ' A' ' 65' ' ' ILE . 56.1 t -85.8 126.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.43 -41.94 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.648 1.217 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.39 153.91 22.19 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.473 ' HA ' ' CG2' ' A' ' 84' ' ' ILE . 0.3 OUTLIER -100.71 -179.38 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.48 HG13 ' CG2' ' A' ' 84' ' ' ILE . 9.9 m -112.92 103.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CE2' ' HB ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -136.64 169.26 18.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -42.33 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -76.44 114.3 36.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.433 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -0.84 23.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 14.5 t -129.31 7.12 5.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.433 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 8.2 mt-30 58.36 155.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.562 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.3 OUTLIER -164.0 152.93 11.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.554 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.0 -57.76 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.899 -2.542 . . . . 0.0 110.987 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.19 -27.74 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.38 172.1 7.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.597 1.186 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.459 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.9 tp -107.03 176.02 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.48 ' CG2' HG13 ' A' ' 70' ' ' VAL . 1.1 pt -74.73 145.86 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.465 ' CB ' HD23 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -136.93 138.75 40.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.83 147.02 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tt -131.39 117.27 18.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.51 HG22 ' CD1' ' A' ' 59' ' ' PHE . 39.5 t -86.04 150.87 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.72 132.63 47.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.56 17.1 59.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.85 -165.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -155.59 30.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.25 145.75 34.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.361 0.683 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 95' ' ' LEU . 14.6 t70 -142.24 166.89 23.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.545 ' N ' ' CD2' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -101.61 136.75 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.209 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -133.83 170.41 15.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.428 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 5.9 m-85 -95.57 158.82 33.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.12 -22.43 14.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.39 0.93 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.428 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 18.4 mt-10 -88.79 -62.23 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.7 pp -98.25 158.41 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -112.12 167.57 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.23 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 4.7 tp -77.47 132.13 38.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -68.96 154.37 95.08 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.42 0.152 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -72.31 123.1 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -96.04 -49.87 5.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.363 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.486 ' N ' ' HD2' ' A' ' 24' ' ' ASP . 1.0 OUTLIER -94.89 147.44 33.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.894 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.88 33.31 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.45 1.763 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -82.7 -46.27 13.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 110.062 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -82.77 103.72 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.353 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 pt -128.28 140.48 49.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -136.8 125.73 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 79' ' ' PRO . 0.8 OUTLIER -111.64 149.87 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.073 . . . . 0.0 108.373 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -113.5 171.46 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.353 1.033 . . . . 0.0 109.591 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.05 119.62 39.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.582 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 21.9 t -97.3 147.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.65 132.44 52.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.43 89.6 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.464 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -165.94 159.04 12.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 16.5 m -128.56 177.03 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 157.29 18.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.2 mm -64.92 130.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.85 11.03 83.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.82 138.78 37.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -94.58 113.92 25.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.5 m -112.7 172.12 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -122.49 124.91 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.236 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.03 124.22 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -65.81 115.27 21.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -17.29 19.58 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.77 147.14 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -115.84 102.46 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -112.99 -36.27 5.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.89 -54.31 14.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.18 -68.84 0.29 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.509 1.131 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -86.22 132.22 34.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -145.99 160.89 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.435 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 16.5 p -85.59 138.48 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 71.9 tp60 -93.13 -29.87 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -50.76 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CE1' HD23 ' A' ' 91' ' ' LEU . 53.6 m-85 -81.92 7.37 13.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.39 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.09 46.61 6.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.46 -172.23 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 128.69 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.68 -163.24 9.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -130.2 150.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.409 0.711 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.4 ' CG1' HG21 ' A' ' 84' ' ' ILE . 21.6 t -81.77 122.66 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -75.62 -51.93 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -114.97 -133.47 5.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.464 ' CD2' ' HB2' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -169.89 177.37 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.507 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 3.4 m -111.2 103.36 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -137.05 168.29 19.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 138.61 17.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -100.02 111.18 61.61 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.51 -58.24 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.41 ' O ' ' HB3' ' A' ' 77' ' ' GLN . 1.9 m -133.26 -40.87 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.41 ' HB3' ' O ' ' A' ' 76' ' ' THR . 6.9 pt20 167.17 -179.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.392 1.057 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -161.94 154.54 16.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.376 1.047 . . . . 0.0 110.981 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.541 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.86 -54.25 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.067 -2.472 . . . . 0.0 111.039 -0.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.55 -27.59 8.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.351 1.032 . . . . 0.0 109.313 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.463 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 3.2 m-20 -122.2 161.55 42.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.41 ' HD3' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.94 -44.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.491 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.6 pt? -113.16 176.16 5.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.228 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.46 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -74.15 145.51 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 27.6 pt20 -131.71 130.97 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.24 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.478 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.9 t -104.18 134.63 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.472 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 8.1 tt -124.33 122.84 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 56.3 t -90.65 150.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.27 119.88 16.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.56 -11.78 60.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.427 HD23 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -103.55 -165.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 0.81 . . . . 0.0 109.312 179.962 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.4 -155.69 31.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.472 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 6.7 pt-20 -142.69 132.72 24.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.35 166.2 21.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -102.36 126.58 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.478 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 98.7 m-85 -118.05 170.11 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -99.34 158.27 32.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.49 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.04 -7.08 27.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -85.35 -66.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 2.2 pp -97.23 167.63 10.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.98 168.2 15.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 11.3 tp -78.59 131.68 36.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -85.07 146.79 46.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.988 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.468 0.175 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.684 ' O ' ' C ' ' A' ' 23' ' ' GLN . 7.8 tp -95.96 153.7 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.684 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -4.28 85.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.224 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -113.4 155.19 45.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -11.71 21.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.462 1.77 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' LEU . 93.3 p -52.26 -30.48 27.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -39.98 106.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.94 133.86 29.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.235 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -126.86 137.0 59.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.57 139.0 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 108.355 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.72 179.56 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.555 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.15 137.58 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 89.8 t -106.47 141.37 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.41 119.2 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.43 65.68 0.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.407 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -143.7 160.34 50.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.46 ' HG3' ' CG2' ' A' ' 70' ' ' VAL . 18.1 Cg_endo -75.04 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.463 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 14.7 m -133.8 175.27 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.69 168.79 10.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mm -75.17 141.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.85 6.89 53.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.39 139.87 42.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HE2' ' CG2' ' A' ' 63' ' ' THR . 14.8 tttt -93.49 117.0 29.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 31.3 m -116.24 171.74 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -118.11 122.2 42.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.183 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.48 123.05 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.385 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.38 125.51 79.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.59 1.837 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.03 149.15 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -111.15 93.89 4.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -102.89 -44.47 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.06 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.88 -83.35 0.1 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -67.85 132.58 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -146.18 161.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.417 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 24.7 t -110.48 119.08 38.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.413 1.071 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.66 -10.8 60.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -83.86 -51.93 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.565 ' CD1' HG21 ' A' ' 88' ' ' VAL . 47.6 m-85 -81.7 7.21 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.47 108.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.19 36.53 71.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.09 171.45 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.458 ' CG2' ' HE2' ' A' ' 43' ' ' LYS . 2.2 m -133.51 131.35 39.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.2 -172.11 13.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mt -121.62 151.91 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.332 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 27.0 t -86.2 118.73 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -47.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -118.77 -138.12 5.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.556 HD21 ' CZ ' ' A' ' 71' ' ' PHE . 8.4 tt -169.96 162.73 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.526 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 3.6 m -93.89 104.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.556 ' CZ ' HD21 ' A' ' 69' ' ' LEU . 6.9 m-85 -135.04 169.33 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.6 106.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -75.0 113.98 30.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.474 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.89 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.821 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.43 -30.46 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.412 ' O ' ' O ' ' A' ' 77' ' ' GLN . 43.4 m -101.66 12.98 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' THR . 5.6 tp-100 58.91 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.36 1.037 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.594 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.73 154.14 11.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.549 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -60.35 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.934 -2.528 . . . . 0.0 111.009 -0.094 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.39 -29.06 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.01 157.0 53.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.01 4.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -129.47 176.88 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.393 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.47 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.25 144.16 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.413 ' NE2' ' OE2' ' A' ' 93' ' ' GLU . 18.3 pt20 -137.21 129.54 29.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.444 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -96.84 147.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.426 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 7.3 tt -137.9 116.04 11.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.565 HG21 ' CD1' ' A' ' 59' ' ' PHE . 77.9 t -84.36 151.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.374 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 122.5 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.45 -5.69 63.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.436 1.085 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.541 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -104.6 -164.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.234 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.08 -158.71 30.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.426 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 3.0 pt-20 -135.95 136.57 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -136.48 165.32 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -104.19 126.06 50.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.624 1.202 . . . . 0.0 109.342 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.463 ' CB ' HD23 ' A' ' 101' ' ' LEU . 97.8 m-85 -120.68 170.39 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.48 158.32 34.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.8 20.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.522 1.801 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.26 -9.14 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.463 HD23 ' CB ' ' A' ' 96' ' ' PHE . 4.6 pp -96.95 160.77 14.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.91 168.4 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.223 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 6.7 tp -77.28 133.79 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.369 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.4 148.71 83.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -54.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.559 0.219 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -169.15 141.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -151.35 110.17 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -122.53 86.47 48.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.223 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 156.75 42.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.721 ' O ' ' C ' ' A' ' 27' ' ' LEU . 69.1 m -91.55 -55.28 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.056 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.721 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 1.64 80.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' SER . 6.6 pt -77.78 146.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mt -130.7 150.79 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.5 p -119.05 148.13 43.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -94.01 179.7 5.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.569 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 39' ' ' ARG . 1.5 t0 -63.94 133.21 52.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.5 p -79.33 138.1 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -87.76 119.5 28.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.15 6.83 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -47.69 174.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.5 Cg_endo -74.96 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 34.1 m -127.21 177.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.437 ' CG ' ' OD2' ' A' ' 32' ' ' ASP . 0.0 OUTLIER -112.22 170.33 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 14.4 mm -81.1 126.3 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG2' ' A' ' 65' ' ' ILE . . . 71.75 6.57 63.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.25 141.35 48.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.41 119.19 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.1 m -119.3 171.95 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -120.62 119.88 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.475 HG11 ' CE1' ' A' ' 96' ' ' PHE . 81.5 t -67.02 120.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 p -60.95 127.61 87.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.71 150.71 48.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -121.53 100.3 6.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.28 -43.68 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -64.19 1.02 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.92 -83.86 0.09 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.6 t -70.5 137.04 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.435 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -148.31 157.1 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.421 ' N ' HG22 ' A' ' 55' ' ' ILE . 8.5 t -102.61 110.7 22.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -18.69 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.2 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -76.22 -48.05 21.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.554 ' CE1' HD23 ' A' ' 91' ' ' LEU . 51.9 m-85 -86.67 10.85 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tp -54.3 100.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.25 24.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.71 -178.53 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -148.15 123.18 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.58 -161.51 9.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.415 ' CG2' ' C ' ' A' ' 41' ' ' GLY . 1.1 mt -129.9 153.87 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 68' ' ' GLY . 22.0 t -80.75 126.89 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.5 t -76.03 -41.93 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.246 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.43 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -133.87 -138.89 4.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.513 1.133 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HA ' ' CG2' ' A' ' 84' ' ' ILE . 4.3 tt -162.05 152.38 17.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.339 0.67 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.469 ' O ' ' CG2' ' A' ' 70' ' ' VAL . 6.0 m -80.91 102.74 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -136.33 160.26 39.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.77 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.2 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 114.25 38.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.427 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.1 Cg_endo -75.02 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.33 -4.45 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -120.64 -6.21 9.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.427 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 3.9 tt0 69.27 146.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.572 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -161.58 153.88 16.68 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.173 . . . . 0.0 110.995 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.94 -57.9 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.961 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.1 -28.38 6.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.03 167.48 22.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -32.47 5.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -129.89 176.48 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.477 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.3 pt -74.93 145.19 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 25.1 pt20 -132.48 132.77 43.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.4 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -99.61 136.05 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.1 tt -127.44 117.63 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.5 t -89.16 151.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.24 125.86 28.07 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.47 63.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.554 HD23 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -109.68 -166.27 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 -152.48 28.59 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -140.52 144.54 36.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.286 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.539 ' OD1' ' CZ ' ' A' ' 96' ' ' PHE . 1.9 t70 -143.58 163.65 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.406 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.3 OUTLIER -103.33 128.49 50.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.539 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.9 m-85 -122.34 165.68 15.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.2 158.36 49.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.0 -23.28 13.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -98.21 -0.54 43.94 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -85.23 -65.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.7 pp -97.09 167.79 10.84 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -125.0 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -77.54 109.45 11.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.39 145.62 2.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.233 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.492 0.187 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.1 tp -147.3 147.21 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -132.23 115.92 16.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -121.51 82.26 39.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.04 34.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.4 t -111.24 -51.57 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.39 114.41 27.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 tp -80.64 148.88 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.221 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -140.6 159.54 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.239 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.25 172.97 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -144.1 175.78 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.6 137.68 34.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.577 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 58.3 t -107.17 134.81 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.12 130.12 42.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.13 -33.08 3.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.633 1.208 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB1' ' CE1' ' A' ' 71' ' ' PHE . . . -48.42 162.04 0.36 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.208 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.414 ' HG3' ' CG2' ' A' ' 70' ' ' VAL . 18.4 Cg_endo -75.13 -51.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 110.992 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.409 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 10.5 m -132.41 177.55 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.5 ttt-85 -102.75 158.8 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.431 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 38.2 mm -64.25 139.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.89 11.36 66.27 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.14 134.22 38.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 0.708 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.46 ' CG ' HG12 ' A' ' 65' ' ' ILE . 1.1 ttmt -93.41 107.26 19.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 30.5 m -106.48 171.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -119.35 119.81 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 77.3 t -65.88 122.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.381 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.3 p -60.91 128.52 89.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -23.43 13.71 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.488 1.783 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -177.23 3.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 109.645 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 t -115.71 112.1 21.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.077 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -101.14 -43.92 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -93.42 -65.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.38 -62.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.425 HG22 ' CD2' ' A' ' 97' ' ' PHE . 13.8 t -59.19 149.82 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.388 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 5.5 tp -166.07 164.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.2 m -143.91 112.15 6.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.42 -31.81 70.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -60.41 -42.19 95.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.41 ' CE1' HD21 ' A' ' 91' ' ' LEU . 29.8 m-85 -95.04 20.05 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 10.1 tt -62.5 112.54 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.374 1.046 . . . . 0.0 109.276 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.47 92.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.29 -173.37 2.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.46 0.741 . . . . 0.0 110.294 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 13.6 m -157.13 119.43 3.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.453 1.096 . . . . 0.0 110.401 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.32 -173.22 12.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.46 HG12 ' CG ' ' A' ' 43' ' ' LYS . 1.6 mt -117.2 158.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.786 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.403 ' N ' HG23 ' A' ' 65' ' ' ILE . 39.6 t -89.07 110.63 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.39 -49.95 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.402 1.064 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -118.6 -132.85 4.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.576 HD21 ' CZ ' ' A' ' 71' ' ' PHE . 8.2 tt -174.21 165.69 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.343 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.502 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 2.5 m -97.92 104.2 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.577 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 6.3 m-85 -135.42 168.73 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.355 1.035 . . . . 0.0 111.046 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.64 106.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.601 1.188 . . . . 0.0 109.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.88 113.96 32.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.436 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.86 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.27 -2.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.81 11.58 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.14 149.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.07 154.51 13.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.543 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -75.05 -59.12 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.012 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -118.83 -28.71 5.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.14 155.69 55.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.2 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.462 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.4 tp -126.89 175.84 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.481 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.94 144.35 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 85' ' ' GLN . 0.5 OUTLIER -137.84 136.3 37.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.4 t -107.79 134.73 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.207 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 7.0 tt -122.27 125.11 45.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 25.7 t -95.03 152.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 72.45 15.62 77.33 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.589 1.18 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.41 HD21 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -129.51 -166.07 1.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.94 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.99 -165.17 28.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.435 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 5.1 pt-20 -130.94 134.4 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 1.7 t70 -133.21 165.97 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.439 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 6.6 mp -101.7 135.85 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.62 168.79 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.477 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 27.8 m-85 -90.63 159.55 40.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.08 14.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.39 -10.01 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.477 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 2.3 mm-40 -74.15 -64.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 pp -98.71 168.11 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -129.51 168.27 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 2.9 tp -77.58 120.33 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.63 153.89 9.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.709 ' O ' ' C ' ' A' ' 22' ' ' ILE . 2.0 mmt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.709 ' C ' ' O ' ' A' ' 21' ' ' MET . 0.8 OUTLIER -3.91 -96.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.489 ' N ' HG13 ' A' ' 22' ' ' ILE . 1.9 mt-30 -91.81 160.07 15.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.12 145.49 60.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 100.39 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.588 1.836 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.9 p -74.75 -44.07 51.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.019 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.24 120.53 15.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.6 pt -96.08 154.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.259 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mt -133.54 122.62 44.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.5 p -118.36 150.53 39.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.37 -179.72 8.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' CZ ' ' A' ' 39' ' ' ARG . 1.9 t0 -99.77 124.91 45.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.533 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 91.2 t -104.51 145.87 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.06 133.79 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.39 49.23 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.064 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.472 ' HB3' ' CE1' ' A' ' 71' ' ' PHE . . . -129.37 163.01 49.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 17.9 Cg_endo -75.12 -56.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.464 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 15.4 m -126.03 177.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.393 1.058 . . . . 0.0 109.392 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -108.58 154.19 22.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.221 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 34.4 mm -61.5 135.26 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.64 12.49 83.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.433 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -81.9 137.04 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.417 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.461 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -93.4 119.68 32.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.606 1.191 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 29.0 m -120.59 171.83 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -123.54 116.14 22.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.55 HG13 ' CE1' ' A' ' 96' ' ' PHE . 80.1 t -67.61 113.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.28 161.18 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.535 1.808 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -118.96 158.58 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.636 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.408 ' CB ' HG12 ' A' ' 55' ' ' ILE . 33.8 t -115.82 169.04 9.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.604 1.19 . . . . 0.0 110.015 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.57 -26.41 18.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.92 -84.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.67 -53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.59 1.181 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 t -59.23 134.39 56.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.431 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.433 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -156.91 163.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.433 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 92.7 p -116.96 122.48 44.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -87.78 -19.72 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.96 -28.6 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.532 ' CE1' HD22 ' A' ' 91' ' ' LEU . 56.5 m-85 -110.51 22.01 15.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -60.24 97.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.72 27.08 36.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.593 1.183 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.1 177.44 5.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -145.97 123.68 11.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.357 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.67 -172.57 13.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.461 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.4 mt -117.71 155.52 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.39 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.448 HG23 ' CG2' ' A' ' 38' ' ' VAL . 13.6 t -85.65 112.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.29 -31.28 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.424 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -135.26 144.26 16.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.553 ' CD2' ' N ' ' A' ' 70' ' ' VAL . 8.0 tt -106.02 158.36 16.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.553 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 10.7 m -89.56 104.74 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.55 ' CZ ' HD23 ' A' ' 69' ' ' LEU . 3.5 m-85 -134.72 169.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.43 106.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.214 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.54 117.86 69.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.53 -2.72 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -126.08 7.0 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 58.92 154.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.595 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.6 155.88 13.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.547 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -57.67 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 -0.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.87 -27.64 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -130.98 160.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.56 1.821 . . . . 0.0 111.014 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -106.11 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.469 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.4 145.03 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 20.0 pt20 -134.02 131.94 39.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.84 147.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.401 ' CD1' ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -134.39 131.96 38.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.393 1.058 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.523 HG23 ' CD1' ' A' ' 59' ' ' PHE . 54.9 t -102.76 152.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 126.33 29.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.16 5.47 81.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.532 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -121.17 -166.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.412 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.31 -157.47 29.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.401 ' HB3' ' CD1' ' A' ' 87' ' ' LEU . 7.3 pt-20 -142.04 135.78 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.45 166.68 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -101.56 132.67 47.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.621 1.201 . . . . 0.0 109.335 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.55 ' CE1' HG13 ' A' ' 46' ' ' VAL . 99.0 m-85 -126.88 170.56 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.471 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -92.19 160.02 36.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.941 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.09 -26.72 10.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.411 ' O ' ' OE1' ' A' ' 99' ' ' GLU . 3.0 tp10 -96.53 -10.97 26.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . 0.471 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 6.4 mt-10 -70.13 -66.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.2 pp -97.37 156.99 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.49 168.46 9.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 8.9 tp -78.15 130.33 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.56 154.67 23.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.573 1.828 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.496 0.189 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -98.34 127.12 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.4 mm-40 -54.05 124.98 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -50.96 145.88 11.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 94.5 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.524 1.802 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.699 ' O ' ' C ' ' A' ' 27' ' ' LEU . 68.7 m -74.27 -52.03 13.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.06 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.699 ' C ' ' O ' ' A' ' 26' ' ' SER . 13.6 tp -0.15 88.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.4 tt -134.14 154.22 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 tp -73.91 125.62 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.211 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.18 158.96 32.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.336 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.23 179.77 7.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.551 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.41 132.94 51.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.593 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 42.1 t -96.35 149.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.01 144.08 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 79.65 91.94 0.4 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.39 1.056 . . . . 0.0 111.019 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.524 ' HB2' ' CD2' ' A' ' 69' ' ' LEU . . . -166.26 160.5 12.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.95 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.445 ' CG1' ' CD1' ' A' ' 103' ' ' LEU . 19.5 m -122.59 177.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -112.96 160.57 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.42 132.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.95 13.83 80.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -81.12 137.28 35.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.449 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.1 OUTLIER -93.36 107.43 19.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.397 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 33.8 m -106.95 170.02 2.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 119.29 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 122.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.01 123.2 71.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -104.09 162.89 12.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.583 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.8 t -103.27 117.58 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.549 ' N ' ' HE2' ' A' ' 51' ' ' GLU . 1.2 mp0 -108.14 -42.41 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -87.33 -61.22 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.78 -72.78 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -73.74 132.36 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 0.837 . . . . 0.0 110.458 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -144.69 159.57 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.9 t -95.02 118.54 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.923 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -19.37 60.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 13.3 ttt180 -77.37 -41.38 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 61' ' ' GLY . 46.0 m-85 -93.98 17.02 13.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.9 87.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 90.85 44.33 4.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.39 1.056 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -116.88 174.22 6.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 0.766 . . . . 0.0 110.363 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.6 m -135.8 124.84 24.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 110.482 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.67 -177.61 15.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.059 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.449 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.5 mt -115.47 155.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.407 ' N ' HG21 ' A' ' 65' ' ' ILE . 48.1 t -84.9 130.41 36.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.75 -44.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.23 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -123.81 -132.71 3.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.566 HD22 ' CE2' ' A' ' 71' ' ' PHE . 5.0 tt -170.54 172.4 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.477 ' CG1' ' HA ' ' A' ' 83' ' ' LEU . 2.2 m -105.59 102.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.593 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 1.0 OUTLIER -137.91 169.42 17.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.1 106.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.83 116.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -164.64 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -1.82 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.77 7.89 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.3 154.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.587 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -164.62 153.07 10.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.562 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.12 -56.86 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 0.047 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -115.62 -28.23 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.8 165.84 27.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -30.87 6.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.477 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 0.6 OUTLIER -127.38 176.25 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.504 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -74.05 145.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.429 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -132.85 140.71 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.27 146.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.444 ' CG ' ' HB3' ' A' ' 93' ' ' GLU . 6.8 tt -136.45 116.23 13.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.39 153.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.36 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 133.91 49.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.6 11.05 40.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -123.38 -165.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.39 -161.07 29.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' HB3' ' CG ' ' A' ' 87' ' ' LEU . 7.6 pt-20 -136.75 136.55 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.536 ' OD1' ' CZ ' ' A' ' 96' ' ' PHE . 5.0 t70 -128.74 166.12 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.558 ' N ' ' CD1' ' A' ' 95' ' ' LEU . 1.4 mp -101.53 130.2 47.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 84.1 m-85 -129.97 170.63 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -99.55 159.29 30.41 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . 0.403 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -19.19 18.04 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.593 1.838 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.46 -0.88 39.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.68 -64.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 96' ' ' PHE . 4.6 pp -97.15 165.71 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -124.72 168.58 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.445 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 2.1 mp -77.33 121.58 23.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.75 145.75 39.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 -54.03 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.685 ' C ' ' O ' ' A' ' 105' ' ' PRO . 22.2 tt0 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.717 ' O ' ' C ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.529 0.204 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.717 ' C ' ' O ' ' A' ' 21' ' ' MET . 0.1 OUTLIER 0.04 83.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' MET . 2.0 mt-30 -99.58 -177.44 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.243 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.12 132.81 23.42 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 176.47 9.88 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.581 1.832 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.704 ' O ' ' C ' ' A' ' 27' ' ' LEU . 2.9 p -54.7 -32.0 58.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.704 ' C ' ' O ' ' A' ' 26' ' ' SER . 30.5 tp 3.63 -110.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.491 ' CG1' ' HG ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -135.9 116.38 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tt -126.47 135.61 63.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.7 m -147.3 125.05 11.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 108.301 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -101.02 175.27 5.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 1.133 . . . . 0.0 109.672 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.29 119.27 11.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 13.4 t -95.95 137.97 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 139.44 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.32 72.22 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.405 1.065 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.519 ' HB1' ' CE1' ' A' ' 71' ' ' PHE . . . -153.24 155.18 31.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.458 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 3.6 m -136.96 177.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.389 1.055 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.9 175.44 6.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 43.2 mm -79.53 146.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.46 4.77 58.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.81 133.07 48.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 0.82 . . . . 0.0 109.307 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.28 112.71 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 35.4 m -107.19 171.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -130.79 120.48 23.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -73.1 102.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.211 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.6 m -70.85 160.83 80.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.429 1.752 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.78 117.12 3.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -104.98 101.64 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -44.94 5.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.92 167.37 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.69 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.586 1.179 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -114.38 135.3 54.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -131.45 161.93 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 57.4 m -90.42 120.89 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -75.97 -29.92 58.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -69.16 -57.74 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.196 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.29 -8.38 31.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.58 94.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.81 27.11 8.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.84 176.35 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 110.344 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 m -132.3 132.87 43.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.52 -170.83 12.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.41 HG21 ' N ' ' A' ' 66' ' ' VAL . 1.2 mt -129.09 154.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.41 ' N ' HG21 ' A' ' 65' ' ' ILE . 20.9 t -81.23 111.11 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.45 -45.21 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -126.81 -129.82 3.31 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.49 ' CD2' ' N ' ' A' ' 70' ' ' VAL . 7.3 tt -173.3 162.82 4.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 0.74 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.49 ' N ' ' CD2' ' A' ' 69' ' ' LEU . 10.3 m -93.46 104.38 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.566 ' CE1' ' HB ' ' A' ' 33' ' ' VAL . 8.1 m-85 -135.37 169.12 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.42 106.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.01 120.28 79.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.408 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.5 Cg_endo -75.03 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.32 -3.05 34.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 t -126.91 8.09 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLN . . . . . 0.408 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 1.8 mt-30 58.88 154.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.606 ' CD1' ' C ' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.49 155.83 13.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.544 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.94 -57.71 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.986 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.403 ' OD2' ' OE1' ' A' ' 85' ' ' GLN . 21.5 p-10 -114.58 -27.69 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -131.35 158.94 73.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.19 16.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.412 HD23 ' CD1' ' A' ' 95' ' ' LEU . 1.3 pt? -129.76 175.92 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.467 ' CG2' ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.28 145.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . 0.403 ' OE1' ' OD2' ' A' ' 80' ' ' ASP . 8.4 pt20 -130.67 133.1 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.5 t -100.74 136.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 7.1 tt -126.76 116.04 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.2 t -85.91 152.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -69.67 132.06 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.31 9.79 44.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -120.01 -165.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.2 -150.49 27.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -144.95 144.65 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -144.24 165.53 27.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.6 OUTLIER -104.0 135.44 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PHE . . . . . 0.595 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 92.8 m-85 -131.11 170.25 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.0 159.13 35.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -23.92 13.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -99.46 1.85 44.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.16 -63.91 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 3.3 pp -96.82 160.12 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.321 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.25 168.58 11.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.448 ' CD1' ' CG1' ' A' ' 38' ' ' VAL . 1.4 mp -77.31 136.43 38.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.73 150.9 84.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -54.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.6 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 132.02 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.07 59.08 1.0 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -138.16 162.68 52.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.91 -54.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.738 . . . . 0.0 111.005 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.832 HG21 HG21 ' A' ' 66' ' ' VAL . 27.3 m -132.61 177.51 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 7.4 ttt180 -103.7 152.54 21.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 69' ' ' LEU . 25.4 mm -63.54 138.42 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.78 6.41 89.07 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -85.49 137.31 32.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 0.731 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -94.22 119.84 33.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 86' ' ' VAL . 30.9 m -111.93 171.96 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -120.2 121.55 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.3 t -66.02 114.3 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.732 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.7 p -60.03 140.72 90.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.642 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.5 Cg_endo -74.95 -49.74 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.751 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 149.57 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -92.82 141.78 28.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 -41.41 5.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -90.54 -59.56 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.51 -41.14 0.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -88.25 132.49 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -151.93 162.95 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.437 ' N ' HG23 ' A' ' 55' ' ' ILE . 38.2 t -104.69 118.05 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -72.28 -28.91 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -68.99 -49.32 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.46 ' HD1' HG21 ' A' ' 88' ' ' VAL . 28.2 m-85 -78.29 -19.71 53.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER -50.18 93.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.068 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 108.49 40.65 1.59 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.444 ' HG2' HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -133.89 -177.38 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 m -149.28 115.4 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 1.157 . . . . 0.0 110.376 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.64 -176.17 14.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.4 mt -113.53 150.62 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.832 HG21 HG21 ' A' ' 38' ' ' VAL . 78.5 t -77.49 110.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.1 t -77.83 -35.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 84' ' ' ILE . . . -130.88 145.98 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.0 tt -111.25 153.08 26.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.057 HG13 HG23 ' A' ' 84' ' ' ILE . 5.3 m -82.65 105.07 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.217 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.862 ' CE2' HD22 ' A' ' 69' ' ' LEU . 19.9 m-85 -134.59 169.04 17.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.52 106.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.384 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.44 114.19 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.404 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.93 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.81 -3.42 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -127.18 11.05 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 59.99 148.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.611 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.08 154.09 12.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.7 Cg_endo -74.88 -57.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.042 -2.482 . . . . 0.0 111.041 -0.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -115.36 -28.08 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.44 160.07 69.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.186 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.07 7.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.796 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -123.39 176.02 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.057 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -75.12 144.9 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.78 134.35 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 t -105.57 133.22 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.043 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 88' ' ' VAL . 7.1 tt -117.71 119.77 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.558 ' O ' HD23 ' A' ' 87' ' ' LEU . 53.6 t -81.59 152.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.14 117.01 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.87 -9.07 60.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.527 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -102.79 -167.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.35 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.18 -159.81 34.25 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.2 pt-20 -135.27 138.14 43.22 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 0.771 . . . . 0.0 110.204 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -132.45 165.75 23.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -102.27 124.51 47.98 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.402 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.5 m-85 -121.06 166.68 13.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.98 158.02 35.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.131 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -15.39 21.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -99.2 -5.68 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 110.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.732 ' O ' HG11 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -87.53 -65.64 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.0 pp -97.19 163.67 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -127.01 168.23 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.413 HD12 HG12 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -77.49 120.66 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.29 150.93 7.83 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.37 1.044 . . . . 0.0 109.236 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 29.6 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 135.87 57.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.36 70.08 0.97 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.554 1.159 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -150.04 160.44 33.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.573 0.808 . . . . 0.0 109.214 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.1 Cg_endo -75.1 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.412 1.743 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' VAL . 31.2 m -121.05 177.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -107.96 144.23 35.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.7 mm -53.48 131.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.26 81.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -82.29 132.59 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.626 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -93.37 114.71 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HB ' HD13 ' A' ' 101' ' ' LEU . 16.3 m -108.42 172.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -119.34 114.07 21.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.43 126.03 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.598 HG23 HD11 ' A' ' 55' ' ' ILE . 1.7 m -55.47 161.08 3.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.468 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.0 Cg_endo -75.04 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -109.11 171.8 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.417 ' N ' HG12 ' A' ' 55' ' ' ILE . 45.6 t -62.99 138.6 58.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.86 8.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.35 -56.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.68 -68.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -60.73 133.9 56.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 0.0 110.311 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.598 HD11 HG23 ' A' ' 47' ' ' VAL . 5.2 tp -165.33 162.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.385 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.0 m -141.31 131.31 24.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -74.36 -19.69 60.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.374 1.046 . . . . 0.0 110.315 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 9.7 mtt180 -67.86 -48.74 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 110.254 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -89.54 21.83 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.0 tt -66.69 91.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.54 36.85 7.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -110.84 -176.28 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.626 HG22 ' CD ' ' A' ' 43' ' ' LYS . 36.6 m -147.9 122.84 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.402 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -136.63 -177.87 15.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.7 mt -115.01 157.06 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 38' ' ' VAL . 43.2 t -87.22 105.06 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.383 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.95 -30.46 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.455 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -135.01 136.86 8.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.966 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.7 tt -100.93 161.87 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.966 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.8 m -90.83 103.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.805 ' CE2' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -135.71 169.03 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -42.48 106.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.37 120.33 80.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.36 35.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 12.5 t -130.22 11.13 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' THR . 21.4 mt-30 59.55 150.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.72 155.75 13.07 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.939 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.578 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -74.99 -57.18 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.988 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.64 -27.71 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.5 166.94 25.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.879 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.2 tp -105.19 176.43 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.797 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -74.57 144.7 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.588 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.5 pt20 -137.03 128.31 28.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.402 HG13 ' HA3' ' A' ' 64' ' ' GLY . 2.6 t -96.17 139.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 88' ' ' VAL . 6.6 tt -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 91' ' ' LEU . 42.8 t -96.38 152.95 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.01 122.02 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.25 5.32 76.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -115.99 -166.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.352 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.54 -158.85 30.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.3 133.24 27.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 110.334 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.14 166.48 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 85' ' ' GLN . 0.3 OUTLIER -101.65 128.23 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -125.99 170.23 11.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -98.1 158.71 32.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.09 -17.02 19.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 -8.57 24.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -65.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.57 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.0 pp -97.03 154.72 17.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.205 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.97 168.22 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tt -82.43 124.45 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.65 154.67 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.58 1.832 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.325 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 95.0 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.68 144.36 18.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.93 -37.03 4.03 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.753 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -42.14 160.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.346 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -75.01 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 66' ' ' VAL . 25.1 m -124.4 177.41 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -110.67 141.86 43.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 69' ' ' LEU . 27.4 mm -53.54 138.69 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.35 22.6 75.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -98.39 133.54 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HE2' HG22 ' A' ' 63' ' ' THR . 13.2 tttt -93.55 117.0 29.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -113.96 171.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -117.8 117.21 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG2' HG11 ' A' ' 86' ' ' VAL . 97.4 t -67.62 114.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -55.29 160.73 3.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.506 1.793 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -117.62 130.35 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -71.43 165.39 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.06 -16.37 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.06 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.51 -53.49 0.07 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.426 HG22 ' OE2' ' A' ' 100' ' ' GLU . 12.0 t -58.91 139.02 57.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 55' ' ' ILE . 6.4 tp -169.03 165.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -139.66 117.91 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.588 1.18 . . . . 0.0 110.119 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -69.38 -7.86 41.31 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -48.02 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -89.53 13.99 12.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.41 94.33 0.06 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.1 8.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.585 1.178 . . . . 0.0 111.058 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.33 173.42 6.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.498 HG22 ' HE2' ' A' ' 43' ' ' LYS . 2.8 m -134.98 112.32 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.42 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -128.37 -179.57 15.97 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.9 mt -113.09 158.46 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 109.347 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 38' ' ' VAL . 60.6 t -85.19 114.17 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.1 t -79.14 -38.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.19 147.38 18.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.994 HD22 ' CE2' ' A' ' 71' ' ' PHE . 5.9 tt -108.69 158.28 17.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.237 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.073 HG13 HG23 ' A' ' 84' ' ' ILE . 13.0 m -90.03 105.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.994 ' CE2' HD22 ' A' ' 69' ' ' LEU . 31.9 m-85 -134.19 169.14 17.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.925 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.7 p-10 -42.43 106.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.97 113.49 18.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.419 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.87 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.91 -2.73 57.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.1 t -128.93 13.28 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.25 147.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.595 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -164.41 153.25 11.41 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 111.059 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.03 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.987 -0.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.11 -28.34 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 85' ' ' GLN . 1.6 m-20 -132.56 166.04 31.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.923 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.8 tp -109.61 175.79 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.073 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -75.59 145.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.443 ' NE2' ' OD2' ' A' ' 81' ' ' ASP . 1.4 pt20 -135.5 143.12 45.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 110.38 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.44 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.1 t -109.14 143.04 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 tt -132.89 120.89 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.5 t -91.37 151.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 121.15 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.66 -10.3 59.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -166.32 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.52 -147.28 21.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -140.38 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.264 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.701 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -101.83 133.27 46.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -133.04 170.43 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.077 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -97.76 158.92 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.06 -20.05 17.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.761 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 2.53 45.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.426 ' OE2' HG22 ' A' ' 54' ' ' THR . 9.2 mt-10 -93.96 -61.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.3 pp -97.03 159.28 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.38 168.49 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.21 126.04 30.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.04 153.77 64.46 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.259 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.51 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 49.9 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -53.47 131.12 37.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.99 83.05 1.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.61 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -159.29 155.88 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.368 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.578 ' O ' HD11 ' A' ' 69' ' ' LEU . 17.2 m -129.77 177.47 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.14 157.64 16.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.0 143.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.03 10.24 84.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.72 141.56 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 0.717 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -97.68 118.08 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.67 ' HB ' HD13 ' A' ' 101' ' ' LEU . 28.3 m -110.69 169.92 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -117.98 116.18 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.9 t -65.92 119.44 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.575 HG22 ' H ' ' A' ' 49' ' ' HIS . 13.2 p -62.5 121.45 67.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.641 1.213 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.88 17.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.575 ' H ' HG22 ' A' ' 47' ' ' VAL . 85.8 t60 -111.39 143.77 41.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -97.15 134.86 39.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -112.96 -45.14 3.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.43 -69.76 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.5 -51.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 t -65.75 134.07 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 110.429 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.431 HD13 ' H ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -166.25 161.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.431 ' H ' HD13 ' A' ' 55' ' ' ILE . 26.9 t -126.69 116.1 20.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.474 1.109 . . . . 0.0 109.937 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' LEU . 57.7 tt0 -60.35 -39.26 86.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -53.2 -49.58 66.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -89.13 19.35 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 57' ' ' GLN . 7.8 tp -54.72 99.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.57 48.95 67.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -179.76 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.783 . . . . 0.0 110.22 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.72 115.73 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -137.11 176.02 20.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.153 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 1.4 mm -103.22 156.94 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 38' ' ' VAL . 24.6 t -88.5 112.52 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.8 t -79.57 -32.72 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.494 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -130.9 146.05 17.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.1 tt -110.46 156.51 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.051 HG13 HG23 ' A' ' 84' ' ' ILE . 18.0 m -87.3 106.74 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.938 ' CE2' HD22 ' A' ' 69' ' ' LEU . 29.9 m-85 -134.39 169.09 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.45 106.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' A' ' 82' ' ' PRO . 1.2 m-20 -78.58 114.68 45.4 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -3.1 37.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.0 t -126.91 9.15 6.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.592 1.182 . . . . 0.0 110.354 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 59.3 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.52 154.17 12.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.563 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.96 -57.85 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.014 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.39 -27.95 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.216 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -130.4 156.47 79.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.206 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 73' ' ' ASP . 18.2 Cg_endo -74.94 -19.02 18.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.813 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.5 pt? -131.03 175.8 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.051 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.48 144.82 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 8.1 pt20 -130.87 133.73 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 44' ' ' VAL . 2.2 t -105.01 147.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.9 tt -134.81 118.35 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.39 150.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.12 130.27 42.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.78 1.92 59.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.614 1.196 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.56 -165.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.78 -153.16 28.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.534 ' HB3' HD12 ' A' ' 87' ' ' LEU . 4.7 pt-20 -140.91 136.94 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -134.81 164.63 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.24 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.38 127.22 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 91.4 m-85 -124.23 170.35 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -96.03 158.26 34.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.72 19.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.11 -6.92 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.28 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.97 -62.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.67 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.5 pp -97.22 167.78 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -128.26 168.31 15.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.535 HD12 HG12 ' A' ' 44' ' ' VAL . 6.8 tp -77.54 131.42 37.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.32 154.4 84.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.2 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 46.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.44 131.33 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.598 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 95.69 90.04 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.567 1.167 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.946 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -166.24 162.28 12.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -75.06 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.39 1.731 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.951 HG21 HG21 ' A' ' 66' ' ' VAL . 15.7 m -130.06 177.3 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.382 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -109.77 140.99 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 69' ' ' LEU . 28.2 mm -55.63 132.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.61 17.89 79.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -92.66 143.94 25.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.56 116.04 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.768 HG12 HD12 ' A' ' 103' ' ' LEU . 31.4 m -114.87 171.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.442 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 17.1 ttpt -120.73 119.63 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG2' HG11 ' A' ' 86' ' ' VAL . 53.7 t -67.14 117.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.386 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.425 ' H ' HG12 ' A' ' 47' ' ' VAL . 1.5 p -55.36 128.82 68.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.98 -46.32 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.04 144.01 30.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -112.07 90.22 3.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.72 -42.31 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -176.59 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.12 -67.86 1.74 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.85 142.48 53.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 55' ' ' ILE . 3.1 tp -165.67 166.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -145.8 114.93 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -75.96 -13.72 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.275 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.752 ' HG2' HD21 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -81.55 -29.98 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -103.5 13.32 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 48' ' ' PRO . 4.8 tp -60.03 116.1 3.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.08 32.37 83.94 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' C ' ' HG1' ' A' ' 63' ' ' THR . 0.4 OUTLIER -99.62 -171.49 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.493 ' HG1' ' HG3' ' A' ' 45' ' ' LYS . 9.1 m -156.52 120.11 4.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.505 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.76 -165.46 10.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.2 mt -124.21 151.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.951 HG21 HG21 ' A' ' 38' ' ' VAL . 40.4 t -80.66 113.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.57 -39.36 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -137.29 151.22 21.02 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.946 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -98.82 176.46 5.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 0.823 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.11 HG13 HG23 ' A' ' 84' ' ' ILE . 4.3 m -115.94 104.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.636 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -135.13 169.7 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.389 1.056 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -41.88 106.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -76.49 116.77 59.4 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 109.259 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.422 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -74.95 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.489 1.783 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.25 -1.75 28.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 t -128.31 7.49 5.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.422 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 2.1 mt-30 58.7 154.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -164.52 153.67 11.62 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -59.98 0.1 OUTLIER 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.972 -0.069 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -119.45 -28.99 5.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.75 160.3 47.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.06 5.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.783 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 tp -129.99 175.54 8.79 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 1.131 . . . . 0.0 109.389 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.11 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -75.52 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -132.85 133.31 43.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.4 t -103.76 136.1 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.3 tt -123.94 122.59 38.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.65 151.44 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 126.34 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.88 -1.34 63.17 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.752 HD21 ' HG2' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -112.83 -168.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.606 0.827 . . . . 0.0 109.353 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.72 -150.09 26.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.1 pt-20 -142.76 143.22 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 0.763 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.7 t70 -142.04 165.45 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -103.6 132.28 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.402 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 98.1 m-85 -126.47 169.94 12.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -93.39 157.82 38.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -20.94 16.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -99.08 5.56 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.74 -61.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.9 pp -97.12 166.38 11.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.98 168.35 16.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 44' ' ' VAL . 3.8 tp -77.5 131.76 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.01 152.58 90.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.05 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.416 1.745 . . . . 0.0 110.963 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.492 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.8 t . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.91 125.3 22.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.405 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.82 65.27 0.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . . . -147.34 159.34 42.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.505 1.792 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.539 ' O ' HD11 ' A' ' 69' ' ' LEU . 22.2 m -131.96 177.74 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -99.38 148.4 24.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 110.353 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.37 137.99 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.17 17.01 73.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -81.84 145.07 30.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -93.43 109.43 21.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 103' ' ' LEU . 26.8 m -109.75 171.9 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -126.43 119.78 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.97 133.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.882 ' O ' HD11 ' A' ' 55' ' ' ILE . 3.4 p -70.35 136.25 86.5 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.214 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.492 ' HA ' HD12 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.99 -36.95 2.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.803 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 47' ' ' VAL . 5.5 m170 -91.13 158.37 16.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -117.3 125.49 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -111.91 -45.48 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 53' ' ' GLY . 4.1 t70 -71.63 -91.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -175.87 33.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -149.88 134.26 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.882 HD11 ' O ' ' A' ' 47' ' ' VAL . 8.1 tp -171.66 158.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -136.91 118.38 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -32.32 71.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.453 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -62.02 -35.89 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CE1' HD22 ' A' ' 91' ' ' LEU . 28.5 m-85 -101.3 18.69 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 48' ' ' PRO . 12.7 tp -60.07 110.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.86 28.39 73.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.389 1.056 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -91.68 172.4 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 110.312 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 m -141.01 115.05 9.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.72 -179.33 16.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mt -111.48 154.45 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.791 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 HG21 ' A' ' 38' ' ' VAL . 58.9 t -89.41 105.4 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 85' ' ' GLN . 8.9 p -77.42 -23.17 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -135.79 134.99 7.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.008 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.1 tt -107.4 158.24 17.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.05 HG13 HG23 ' A' ' 84' ' ' ILE . 18.8 m -88.72 104.99 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.783 ' CD2' HD22 ' A' ' 69' ' ' LEU . 5.8 m-85 -134.68 169.16 17.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.36 106.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.363 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.94 116.64 55.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.257 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.452 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.91 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.546 1.814 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.99 -7.24 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.557 ' O ' HG22 ' A' ' 76' ' ' THR . 4.8 m -123.51 12.16 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.44 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' THR . 2.7 mt-30 59.79 149.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.7 154.75 12.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.565 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -58.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.958 -0.056 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.95 -28.0 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.47 163.99 46.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -53.48 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.887 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.7 pt? -100.55 175.92 5.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.05 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.29 144.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 67' ' ' VAL . 13.2 pt20 -137.09 130.11 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -99.0 146.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.5 tt -134.09 117.63 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 91' ' ' LEU . 47.3 t -85.54 152.64 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.24 133.63 48.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.13 11.15 44.33 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.375 1.047 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -121.16 -165.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 0.705 . . . . 0.0 109.266 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.78 -155.02 30.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.643 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.4 pt-20 -142.58 134.12 26.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 2.0 t70 -132.31 166.65 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.548 HD22 HD21 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -101.79 130.54 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.942 ' HB3' HD11 ' A' ' 101' ' ' LEU . 92.7 m-85 -126.34 162.35 25.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -91.28 159.74 38.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.2 19.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.85 -0.94 38.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.684 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.4 mm-40 -83.59 -70.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.942 HD11 ' HB3' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -100.27 168.98 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.203 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -118.05 160.75 20.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.559 1.162 . . . . 0.0 110.228 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 104' ' ' ALA . 2.5 tt -80.55 126.42 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.54 ' N ' HD23 ' A' ' 103' ' ' LEU . . . -74.1 147.19 85.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -54.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 26.9 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.43 140.94 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.512 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 85.7 88.92 0.93 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.88 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.59 159.2 13.56 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.584 0.814 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.99 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 66' ' ' VAL . 11.7 m -124.49 177.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -112.25 144.13 42.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 69' ' ' LEU . 41.9 mm -56.14 130.45 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.38 17.32 80.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.81 142.81 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 0.778 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 22.8 tttt -93.47 123.86 37.07 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.598 1.186 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 103' ' ' LEU . 18.9 m -126.64 172.38 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.76 121.45 40.86 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.08 120.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG11 ' C ' ' A' ' 100' ' ' GLU . 2.1 p -60.97 130.78 91.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.04 -41.65 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.524 1.802 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.94 140.97 58.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.508 1.13 . . . . 0.0 109.534 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.1 t -95.98 109.28 21.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -108.29 -44.71 4.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.69 159.77 14.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.32 -37.39 39.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.04 132.54 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 55' ' ' ILE . 3.2 tp -161.32 165.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.23 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 t -145.87 120.36 9.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -79.19 -18.08 53.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -46.25 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.1 m-85 -83.74 -11.8 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 99.87 46.02 1.98 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.405 1.065 . . . . 0.0 111.028 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HB3' HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -135.23 -168.4 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 44' ' ' VAL . 76.8 m -156.6 115.94 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.5 -176.46 14.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 mt -113.01 152.04 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 38' ' ' VAL . 38.5 t -89.27 116.65 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.44 -60.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.178 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -108.0 156.05 15.97 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.88 HD21 ' HB1' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -106.13 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -136.93 169.41 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.11 106.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -68.59 114.11 20.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.46 -0.1 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.1 t -129.56 9.71 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.29 148.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.351 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.74 154.62 12.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.575 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 17.9 Cg_endo -75.06 -59.36 0.12 OUTLIER 'Cis proline' 0 C--N 1.361 1.218 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.924 -0.064 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.03 -28.01 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.1 165.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.668 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -113.48 175.14 5.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 68' ' ' GLY . 1.2 pt -75.42 142.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.595 1.185 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HB3' HD23 ' A' ' 95' ' ' LEU . 6.7 pt20 -136.58 129.69 31.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.47 136.46 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -125.24 124.45 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.41 HG21 ' HB3' ' A' ' 62' ' ' GLN . 17.0 t -93.48 151.96 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.38 123.06 19.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.77 -7.55 62.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -166.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 0.81 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.0 -157.8 28.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.638 ' HB3' HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -136.86 140.17 42.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 5.7 t70 -137.39 166.63 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.56 134.54 44.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -130.54 170.44 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -95.12 158.28 35.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -17.97 18.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.22 -5.24 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.464 ' C ' HG11 ' A' ' 47' ' ' VAL . 3.0 mt-10 -85.37 -64.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -97.04 161.74 13.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.054 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -119.63 168.45 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.651 ' HA ' HG12 ' A' ' 44' ' ' VAL . 4.3 tp -77.33 124.85 28.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -50.95 149.19 6.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.217 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -55.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.364 1.718 . . . . 0.0 110.969 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -50.49 131.91 25.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.82 79.2 1.45 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -161.47 159.44 23.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -33.33 4.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.505 HG21 HG21 ' A' ' 66' ' ' VAL . 4.7 m -126.78 177.99 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -119.62 144.92 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.94 127.09 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' HA2' ' CG2' ' A' ' 65' ' ' ILE . . . 77.35 11.36 85.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.579 1.174 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.24 141.56 39.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 63' ' ' THR . 25.7 tttt -93.96 116.3 28.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.244 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.657 HG12 HD12 ' A' ' 103' ' ' LEU . 27.7 m -115.33 172.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 11.8 ttpt -125.36 122.49 36.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.06 113.78 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -55.32 160.87 3.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.645 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.11 119.7 36.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -69.3 174.15 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' OG ' ' A' ' 50' ' ' SER . 8.3 mt-10 -103.62 -24.46 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -73.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.94 -45.42 0.08 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.9 t -62.07 134.2 56.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 0.816 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.416 HD13 ' H ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -159.56 159.63 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.416 ' H ' HD13 ' A' ' 55' ' ' ILE . 12.1 t -127.39 110.45 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.932 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -27.45 68.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -65.53 -39.57 91.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . 25.6 m-85 -91.39 -19.56 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.668 1.23 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 60' ' ' LEU . 3.3 tt -49.21 94.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 106.64 36.74 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.603 1.189 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -168.66 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 44' ' ' VAL . 19.4 m -157.2 113.14 2.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.186 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.8 -177.4 16.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -118.24 150.48 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 68' ' ' GLY . 22.6 t -84.72 116.34 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.643 1.214 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.559 HG12 ' CG ' ' A' ' 85' ' ' GLN . 12.1 p -79.79 -33.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.692 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -121.37 -145.04 7.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 36' ' ' ALA . 1.3 tt -174.66 175.03 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 0.719 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.036 HG13 HG23 ' A' ' 84' ' ' ILE . 13.0 m -106.0 103.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.199 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -136.46 169.21 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 106.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -81.79 115.64 58.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.7 Cg_endo -74.98 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.22 -4.38 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 10.4 t -124.34 3.11 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.423 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 33.3 mt-30 59.36 151.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.376 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -158.77 154.65 23.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.98 -58.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.028 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -116.77 -27.97 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.59 161.89 56.37 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -34.02 4.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.901 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.5 pt? -116.04 175.9 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.036 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -74.89 145.18 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.559 ' CG ' HG12 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -130.37 139.1 50.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.97 141.85 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' A' ' 93' ' ' GLU . 9.7 tt -132.28 121.53 23.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.5 t -88.63 153.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.368 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.87 128.29 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.568 1.168 . . . . 0.0 110.312 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.0 6.89 61.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.5 -170.08 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.12 -160.57 35.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.629 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.1 pt-20 -141.12 138.25 33.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -132.39 166.84 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -101.54 128.85 47.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.28 158.49 52.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.85 13.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -99.16 3.17 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -88.38 -68.67 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.4 pp -97.0 160.58 14.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.613 1.195 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.53 168.36 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.657 HD12 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -77.79 125.94 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.85 97.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.562 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 25.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 144.68 26.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.176 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.21 -46.45 1.17 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.845 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -41.29 158.77 0.18 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.551 0.795 . . . . 0.0 109.301 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' HG23 ' A' ' 70' ' ' VAL . 18.0 Cg_endo -75.06 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.658 ' O ' HD11 ' A' ' 69' ' ' LEU . 16.8 m -133.12 177.4 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -93.98 170.97 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 mm -77.03 141.54 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.09 10.66 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.99 141.84 42.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -95.07 113.71 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.735 HG12 HD12 ' A' ' 103' ' ' LEU . 26.9 m -115.65 171.89 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -125.58 115.84 20.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 59' ' ' PHE . 21.0 m -67.14 125.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.628 1.205 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.19 129.94 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.787 . . . . 0.0 111.071 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 150.0 9.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.9 t -115.08 98.61 6.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.09 -40.49 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -175.07 3.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.69 -76.46 0.68 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 t -73.62 132.34 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -153.5 158.45 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m -104.4 121.56 43.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.177 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.57 -28.78 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -76.64 -27.02 55.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.207 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 46' ' ' VAL . 23.7 m-85 -99.23 17.53 19.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 70.56 48.09 38.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -98.22 -176.08 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 m -147.37 122.85 10.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.4 -173.76 16.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.409 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -113.58 154.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.578 HG21 HG21 ' A' ' 38' ' ' VAL . 74.8 t -84.04 105.58 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.8 -36.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -128.3 147.99 17.65 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.92 HD23 ' N ' ' A' ' 70' ' ' VAL . 6.3 tt -113.66 163.21 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 0.803 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.92 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -96.05 104.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.855 ' CE2' HD22 ' A' ' 69' ' ' LEU . 12.4 m-85 -134.83 169.17 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.06 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -42.4 106.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.34 114.99 49.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -164.2 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.58 -3.03 38.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.4 t -127.36 9.59 6.67 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.76 153.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.619 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.23 154.46 12.81 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.93 -59.41 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.041 -0.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.24 -28.62 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -123.4 156.12 64.37 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.356 1.035 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.6 tp -111.53 174.97 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.4 144.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.382 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -133.19 136.22 45.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.423 HG11 HG13 ' A' ' 46' ' ' VAL . 2.7 t -113.26 122.35 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.2 tt -108.31 124.73 50.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.58 HG21 ' HG2' ' A' ' 62' ' ' GLN . 49.1 t -88.03 151.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 130.29 41.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.247 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.96 5.86 54.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -169.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.16 -155.05 31.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.743 ' HB3' HD12 ' A' ' 87' ' ' LEU . 2.2 pt-20 -139.67 150.06 44.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.226 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.46 ' C ' HD22 ' A' ' 95' ' ' LEU . 3.7 t70 -145.88 167.03 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -101.15 130.57 47.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.486 ' CZ ' HG11 ' A' ' 46' ' ' VAL . 67.0 m-85 -125.61 162.81 24.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.417 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 4.7 m-85 -89.3 159.42 44.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -20.66 16.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.957 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -99.66 -4.9 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.417 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 4.2 mm-40 -83.68 -61.43 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.503 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.3 pp -97.09 170.5 9.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -136.04 167.5 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.213 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.735 HD12 HG12 ' A' ' 44' ' ' VAL . 8.0 tp -77.58 131.84 38.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 152.37 3.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -54.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.552 1.817 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.588 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 49.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.81 115.31 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.84 64.59 0.32 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.411 1.07 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.833 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -145.37 158.93 50.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.42 0.717 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.478 1.778 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.667 HG21 HG21 ' A' ' 66' ' ' VAL . 21.7 m -125.64 177.55 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.683 1.24 . . . . 0.0 109.246 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 6.9 tmm_? -105.65 157.37 17.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.367 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 mm -63.72 132.5 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.37 2.9 81.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.376 1.047 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -67.88 141.56 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.3 OUTLIER -93.22 120.4 33.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.513 ' HB ' HD13 ' A' ' 101' ' ' LEU . 33.8 m -115.66 171.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -128.7 116.17 19.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' CG2' HG11 ' A' ' 86' ' ' VAL . 59.2 t -67.84 127.52 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.713 HG23 HD11 ' A' ' 55' ' ' ILE . 2.3 m -55.36 160.33 3.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.15 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.44 1.758 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -112.85 148.22 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.594 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 55' ' ' ILE . 29.9 t -47.7 146.55 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.84 -26.43 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.072 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.6 OUTLIER -130.43 -49.1 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.74 -64.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.22 133.61 56.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 0.744 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.713 HD11 HG23 ' A' ' 47' ' ' VAL . 4.4 tp -171.77 164.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -139.49 118.6 12.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.26 -15.85 63.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -79.53 -40.29 29.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.237 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -94.01 17.62 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.64 102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.88 36.8 61.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.544 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -101.06 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.234 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 43' ' ' LYS . 4.6 m -127.75 126.19 41.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.358 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.57 -158.74 7.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -135.46 153.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.667 HG21 HG21 ' A' ' 38' ' ' VAL . 40.1 t -82.4 140.5 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.427 ' CG2' ' CG ' ' A' ' 85' ' ' GLN . 41.3 t -88.79 -47.67 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.54 -133.77 4.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.424 1.078 . . . . 0.0 110.976 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.833 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -167.95 163.28 13.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.062 HG12 ' HA ' ' A' ' 83' ' ' LEU . 9.0 m -99.97 102.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.668 ' CD2' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -137.71 169.92 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -41.75 106.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.02 114.87 20.16 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.434 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -164.19 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.49 -5.09 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.588 ' O ' HG22 ' A' ' 76' ' ' THR . 5.4 m -127.2 14.8 7.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.195 . . . . 0.0 110.429 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER 60.0 147.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.86 153.78 11.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.564 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.09 -59.31 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.986 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.34 -28.1 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.91 169.08 14.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.605 1.845 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.062 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.3 pt? -131.75 176.56 8.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.537 HG22 HG11 ' A' ' 66' ' ' VAL . 1.1 pt -74.25 144.82 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.384 1.052 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.427 ' CG ' ' CG2' ' A' ' 67' ' ' VAL . 4.7 pt20 -132.99 127.58 34.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 96' ' ' PHE . 2.9 t -96.93 133.15 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.7 tt -124.54 121.95 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.544 HG21 ' HG2' ' A' ' 62' ' ' GLN . 24.9 t -93.41 150.21 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.085 . . . . 0.0 109.337 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.91 130.29 41.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.69 61.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.8 -165.33 1.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 0.75 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.0 -164.66 30.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -133.88 138.36 45.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 0.714 . . . . 0.0 110.305 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.8 t70 -135.23 166.67 22.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.51 127.77 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CE1' ' HB ' ' A' ' 86' ' ' VAL . 68.7 m-85 -123.84 160.82 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.14 159.24 48.44 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.25 18.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.63 -1.74 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 52' ' ' ASP . 4.8 mm-40 -83.26 -69.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.225 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.513 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.0 pp -96.99 168.18 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.22 164.74 15.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 110.223 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.49 131.08 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.26 152.24 39.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.591 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 47.3 t . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.68 129.34 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.591 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.31 87.11 1.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.572 1.17 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.89 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -164.14 158.88 16.34 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -74.99 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 66' ' ' VAL . 25.5 m -124.1 177.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -111.46 154.8 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.439 1.087 . . . . 0.0 110.246 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.6 mm -60.92 133.67 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.064 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.17 82.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -71.97 133.03 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.45 ' HD3' HD11 ' A' ' 65' ' ' ILE . 2.9 ttpt -92.98 114.07 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.905 HG12 HD12 ' A' ' 103' ' ' LEU . 34.7 m -108.03 171.31 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -122.55 113.94 19.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CG2' HG11 ' A' ' 86' ' ' VAL . 42.9 t -66.64 123.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.05 157.4 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.546 1.814 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -106.31 148.63 27.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.482 ' HB2' HG21 ' A' ' 55' ' ' ILE . 26.6 t -53.44 145.03 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.915 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.21 -34.44 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.03 -60.76 1.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.389 1.056 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.52 -63.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.6 t -61.85 138.76 58.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 50' ' ' SER . 8.3 tp -171.44 156.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.3 t -129.03 121.38 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -64.98 -19.54 66.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.49 -47.92 52.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -88.42 18.33 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.49 99.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.65 24.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -109.49 163.11 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.363 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.4 m -125.34 126.42 45.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.408 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -140.95 -174.36 14.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.45 HD11 ' HD3' ' A' ' 43' ' ' LYS . 1.6 mt -118.81 160.47 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 38' ' ' VAL . 45.0 t -85.21 139.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.36 -43.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.51 -131.19 3.23 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.89 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -169.7 173.21 6.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 0.746 . . . . 0.0 109.237 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.002 HG12 ' HA ' ' A' ' 83' ' ' LEU . 24.3 m -110.06 103.16 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.775 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.5 m-85 -136.92 169.86 17.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 111.05 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 106.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.81 114.47 32.73 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.403 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.09 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.51 -0.53 42.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -128.36 7.94 5.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.564 1.165 . . . . 0.0 110.465 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 61.7 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -155.76 154.53 28.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.588 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.07 -60.88 0.06 OUTLIER 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.022 0.059 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.39 -28.44 5.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.426 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 12.6 m-20 -122.95 160.81 47.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.002 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 pt? -121.96 175.63 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.728 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -75.66 144.83 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.386 1.054 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.426 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 5.7 pt20 -137.17 138.42 40.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.406 1.066 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -105.93 139.49 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 93' ' ' GLU . 9.3 tt -127.61 129.41 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.622 1.201 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.462 HG11 HD13 ' A' ' 91' ' ' LEU . 32.5 t -99.42 149.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.32 124.16 23.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.244 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.76 -6.43 65.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.462 HD13 HG11 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -108.34 -165.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.744 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -148.44 23.92 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.8 pt-20 -143.24 150.06 38.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.752 ' C ' HD13 ' A' ' 95' ' ' LEU . 3.3 t70 -148.08 166.96 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.793 ' N ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -106.26 134.9 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.562 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 92.0 m-85 -130.72 170.33 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.95 159.46 29.33 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -16.8 19.87 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.76 -4.33 30.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.28 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.98 -65.76 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.35 1.031 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.525 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.8 pp -96.69 169.25 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -123.73 168.41 12.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.905 HD12 HG12 ' A' ' 44' ' ' VAL . 7.8 tp -77.36 124.01 27.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.89 146.32 5.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.589 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 26.2 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -64.31 133.41 52.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 91.6 89.69 1.42 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.902 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -164.94 159.33 14.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.437 0.728 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.6 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 1.022 HG21 HG21 ' A' ' 66' ' ' VAL . 28.6 m -128.0 177.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -108.55 153.39 23.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.422 HD11 ' HB2' ' A' ' 69' ' ' LEU . 44.1 mm -61.24 133.66 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.93 8.55 84.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -80.76 137.6 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.8 ttpt -94.4 112.73 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.605 HG11 HG11 ' A' ' 38' ' ' VAL . 27.1 m -103.84 171.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -123.22 113.64 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.29 117.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 m -54.99 160.57 2.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -117.48 140.7 49.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.612 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.403 ' HA ' ' OE2' ' A' ' 100' ' ' GLU . 4.5 t -86.34 156.24 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.14 6.46 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -123.58 -82.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.04 -55.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.15 136.85 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.769 . . . . 0.0 110.458 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 55' ' ' ILE . 7.3 tp -171.43 164.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 m -141.49 114.66 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.947 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.02 -12.61 61.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -36.3 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -97.86 18.58 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.64 90.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.45 8.32 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.396 1.06 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.772 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -101.9 178.56 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.422 HG22 ' HG2' ' A' ' 43' ' ' LYS . 13.6 m -150.27 111.85 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.08 -173.27 13.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -117.87 149.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 1.022 HG21 HG21 ' A' ' 38' ' ' VAL . 23.9 t -77.93 126.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -71.98 -45.66 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.84 -124.83 2.82 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.902 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -170.84 177.88 3.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -113.27 102.05 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.22 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.69 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -137.97 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 111.092 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.13 106.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.85 114.42 32.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.2 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -167.13 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.567 1.825 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.67 -3.91 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.9 t -127.0 12.14 7.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.04 152.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.9 153.8 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.575 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -56.56 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.232 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.001 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -27.71 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.406 ' CG ' ' OE1' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -128.18 164.15 39.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -34.12 4.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.6 1.842 . . . . 0.0 110.981 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.642 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -129.73 176.02 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.32 144.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.642 ' HB3' HD12 ' A' ' 95' ' ' LEU . 2.9 pt20 -135.74 131.36 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.497 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -104.04 143.28 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.2 tt -132.84 128.56 36.96 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.632 1.208 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.772 HG21 ' HG2' ' A' ' 62' ' ' GLN . 27.0 t -97.19 151.29 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 123.01 21.17 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 -9.81 59.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.148 . . . . 0.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 -168.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 -160.97 32.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.604 ' HB3' HD12 ' A' ' 87' ' ' LEU . 1.8 pt-20 -136.92 144.28 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 0.817 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.469 ' C ' HD13 ' A' ' 95' ' ' LEU . 13.2 t70 -141.27 166.62 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -101.48 133.73 45.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.497 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 96.7 m-85 -124.83 170.46 11.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.401 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 1.6 m-85 -97.19 159.27 31.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.85 -23.84 13.76 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.457 1.767 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.58 4.36 45.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' OE2' ' HA ' ' A' ' 50' ' ' SER . 15.8 mm-40 -89.99 -66.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -125.09 168.5 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.78 120.66 23.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -64.57 143.44 98.61 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 110.235 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.596 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 35.9 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.87 122.09 15.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.62 88.01 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.882 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.34 158.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 17.8 Cg_endo -75.08 -44.88 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 66' ' ' VAL . 30.3 m -121.59 176.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -110.69 138.59 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.724 HD11 ' HB2' ' A' ' 69' ' ' LEU . 27.5 mm -57.37 130.97 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.99 14.57 81.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.86 141.79 28.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 19.2 tttt -93.99 114.7 26.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 103' ' ' LEU . 35.3 m -108.44 171.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -121.76 116.39 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.14 119.14 14.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 47' ' ' VAL . 1.7 m -55.73 160.48 4.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.97 136.87 52.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.773 ' CB ' HD13 ' A' ' 55' ' ' ILE . 29.7 t -107.61 176.58 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -41.08 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 179.61 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.88 -36.18 61.37 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -67.23 131.96 46.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 110.426 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.773 HD13 ' CB ' ' A' ' 50' ' ' SER . 6.7 tp -171.49 164.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -145.85 114.32 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.056 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -75.18 -17.83 60.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -75.57 -18.26 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.517 ' CE1' HD22 ' A' ' 91' ' ' LEU . 24.1 m-85 -112.46 19.25 17.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.8 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.792 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -94.13 165.71 12.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.364 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -133.23 110.32 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.35 179.52 16.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.56 1.162 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 42' ' ' ALA . 2.0 mt -110.72 156.49 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 38' ' ' VAL . 56.1 t -85.8 126.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.43 -41.94 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.648 1.217 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.39 153.91 22.19 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.882 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -100.71 -179.38 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.063 HG13 HG23 ' A' ' 84' ' ' ILE . 9.9 m -112.92 103.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CE2' ' HB ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -136.64 169.26 18.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -42.33 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -76.44 114.3 36.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -0.84 23.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 14.5 t -129.31 7.12 5.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.426 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 8.2 mt-30 58.36 155.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.566 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -164.0 152.93 11.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.566 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.0 -57.76 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.899 -2.542 . . . . 0.0 110.987 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.19 -27.74 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.38 172.1 7.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.597 1.186 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.85 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 tp -107.03 176.02 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.063 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -74.73 145.86 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CB ' HD22 ' A' ' 95' ' ' LEU . 4.7 pt20 -136.93 138.75 40.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.83 147.02 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tt -131.39 117.27 18.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.792 HG21 ' HG2' ' A' ' 62' ' ' GLN . 39.5 t -86.04 150.87 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.72 132.63 47.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.56 17.1 59.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.517 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -129.85 -165.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -155.59 30.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.25 145.75 34.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.361 0.683 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 95' ' ' LEU . 14.6 t70 -142.24 166.89 23.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -101.61 136.75 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.209 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -133.83 170.41 15.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 5.9 m-85 -95.57 158.82 33.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.12 -22.43 14.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.39 0.93 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 18.4 mt-10 -88.79 -62.23 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 101' ' ' LEU . 2.7 pp -98.25 158.41 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -112.12 167.57 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.23 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 44' ' ' VAL . 4.7 tp -77.47 132.13 38.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -68.96 154.37 95.08 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 21.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.65 132.44 52.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.43 89.6 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.831 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.94 159.04 12.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.732 HG21 HG21 ' A' ' 66' ' ' VAL . 16.5 m -128.56 177.03 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 157.29 18.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.2 mm -64.92 130.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.85 11.03 83.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -79.82 138.78 37.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -94.58 113.92 25.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.696 HG12 HD12 ' A' ' 103' ' ' LEU . 17.5 m -112.7 172.12 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -122.49 124.91 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.236 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.03 124.22 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.563 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.7 p -65.81 115.27 21.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -17.29 19.58 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.77 147.14 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -115.84 102.46 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -112.99 -36.27 5.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.89 -54.31 14.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.18 -68.84 0.29 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.509 1.131 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -86.22 132.22 34.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -145.99 160.89 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.435 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 16.5 p -85.59 138.48 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.54 ' HA ' HD12 ' A' ' 60' ' ' LEU . 71.9 tp60 -93.13 -29.87 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.515 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -77.02 -50.76 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -81.92 7.37 13.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -52.39 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.09 46.61 6.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -114.46 -172.23 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.299 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 128.69 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.68 -163.24 9.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -130.2 150.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.409 0.711 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.732 HG21 HG21 ' A' ' 38' ' ' VAL . 21.6 t -81.77 122.66 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -75.62 -51.93 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.466 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -114.97 -133.47 5.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.831 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -169.89 177.37 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.003 HG12 ' HA ' ' A' ' 83' ' ' LEU . 3.4 m -111.2 103.36 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -137.05 168.29 19.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 138.61 17.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -100.02 111.18 61.61 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.51 -58.24 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 1.9 m -133.26 -40.87 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.41 ' NE2' ' HD3' ' A' ' 82' ' ' PRO . 6.9 pt20 167.17 -179.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.392 1.057 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -161.94 154.54 16.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.376 1.047 . . . . 0.0 110.981 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.86 -54.25 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.067 -2.472 . . . . 0.0 111.039 -0.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.55 -27.59 8.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.351 1.032 . . . . 0.0 109.313 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.2 161.55 42.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.41 ' HD3' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.94 -44.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 1.003 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 pt? -113.16 176.16 5.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.228 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.839 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -74.15 145.51 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.433 ' HB3' HD23 ' A' ' 95' ' ' LEU . 8.3 pt20 -131.71 130.97 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.24 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.9 t -104.18 134.63 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.1 tt -124.33 122.84 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 56.3 t -90.65 150.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.27 119.88 16.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.56 -11.78 60.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -165.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 0.81 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.4 -155.69 31.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.61 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.7 pt-20 -142.69 132.72 24.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.35 166.2 21.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.661 HD13 HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -102.36 126.58 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.477 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 98.7 m-85 -118.05 170.11 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -99.34 158.27 32.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.49 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.04 -7.08 27.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.563 ' O ' HG11 ' A' ' 47' ' ' VAL . 6.0 mt-10 -85.35 -66.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 101' ' ' LEU . 2.2 pp -97.23 167.63 10.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.98 168.2 15.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HG12 ' A' ' 44' ' ' VAL . 11.3 tp -78.59 131.68 36.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . . . -85.07 146.79 46.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.02 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 89.8 t . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.41 119.2 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.43 65.68 0.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.547 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -143.7 160.34 50.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HG3' ' CG2' ' A' ' 70' ' ' VAL . 18.1 Cg_endo -75.04 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.548 HG21 HG21 ' A' ' 66' ' ' VAL . 14.7 m -133.8 175.27 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.69 168.79 10.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mm -75.17 141.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.85 6.89 53.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -75.39 139.87 42.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HE2' ' CG2' ' A' ' 63' ' ' THR . 14.8 tttt -93.49 117.0 29.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' A' ' 103' ' ' LEU . 31.3 m -116.24 171.74 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -118.11 122.2 42.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.183 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.48 123.05 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.385 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.38 125.51 79.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.59 1.837 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.03 149.15 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -111.15 93.89 4.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -102.89 -44.47 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.06 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.88 -83.35 0.1 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -67.85 132.58 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -146.18 161.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.417 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 24.7 t -110.48 119.08 38.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.413 1.071 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.66 -10.8 60.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -83.86 -51.93 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' CE1' HD22 ' A' ' 91' ' ' LEU . 47.6 m-85 -81.7 7.21 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.47 108.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.19 36.53 71.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.09 171.45 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.465 ' CG2' ' HE2' ' A' ' 43' ' ' LYS . 2.2 m -133.51 131.35 39.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.2 -172.11 13.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -121.62 151.91 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 68' ' ' GLY . 27.0 t -86.2 118.73 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -47.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.6 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -118.77 -138.12 5.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.984 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.4 tt -169.96 162.73 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.984 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.6 m -93.89 104.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.825 ' CE2' HD22 ' A' ' 69' ' ' LEU . 6.9 m-85 -135.04 169.33 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.6 106.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -75.0 113.98 30.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.475 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.89 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.821 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.43 -30.46 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 76' ' ' THR . 43.4 m -101.66 12.98 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' THR . 5.6 tp-100 58.91 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.36 1.037 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.73 154.14 11.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -60.35 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.934 -2.528 . . . . 0.0 111.009 -0.094 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.39 -29.06 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.01 157.0 53.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.01 4.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.759 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -129.47 176.88 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.393 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.687 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.25 144.16 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.413 ' NE2' ' OE2' ' A' ' 93' ' ' GLU . 18.3 pt20 -137.21 129.54 29.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.446 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -96.84 147.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.3 tt -137.9 116.04 11.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' HD23 ' A' ' 87' ' ' LEU . 77.9 t -84.36 151.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.374 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 122.5 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.45 -5.69 63.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.436 1.085 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -104.6 -164.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.234 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.08 -158.71 30.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.617 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.0 pt-20 -135.95 136.57 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -136.48 165.32 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -104.19 126.06 50.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.624 1.202 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.446 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 97.8 m-85 -120.68 170.39 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.48 158.32 34.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.8 20.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.522 1.801 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.26 -9.14 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.4 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.6 pp -96.95 160.77 14.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.91 168.4 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.223 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.48 ' HA ' HG12 ' A' ' 44' ' ' VAL . 6.7 tp -77.28 133.79 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.4 148.71 83.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -54.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.811 HG13 ' HB2' ' A' ' 36' ' ' ALA . 7.5 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -87.76 119.5 28.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.15 6.83 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.811 ' HB2' HG13 ' A' ' 33' ' ' VAL . . . -47.69 174.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.772 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.96 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 84' ' ' ILE . 34.1 m -127.21 177.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.803 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -112.22 170.33 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 69' ' ' LEU . 14.4 mm -81.1 126.3 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG2' ' A' ' 65' ' ' ILE . . . 71.75 6.57 63.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . . . -72.25 141.35 48.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.41 119.19 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 103' ' ' LEU . 16.1 m -119.3 171.95 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -120.62 119.88 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' CG2' HG11 ' A' ' 86' ' ' VAL . 81.5 t -67.02 120.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.2 p -60.95 127.61 87.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.71 150.71 48.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -121.53 100.3 6.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.28 -43.68 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -64.19 1.02 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.92 -83.86 0.09 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.6 t -70.5 137.04 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.435 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.31 157.1 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.42 ' HG ' ' HD2' ' A' ' 59' ' ' PHE . 8.5 t -102.61 110.7 22.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -18.69 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.2 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -76.22 -48.05 21.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HD2' ' HG ' ' A' ' 56' ' ' SER . 51.9 m-85 -86.67 10.85 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tp -54.3 100.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.25 24.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.593 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.6 OUTLIER -106.71 -178.53 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -148.15 123.18 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.58 -161.51 9.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.1 mt -129.9 153.87 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 68' ' ' GLY . 22.0 t -80.75 126.89 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.431 HG23 ' HG3' ' A' ' 85' ' ' GLN . 53.5 t -76.03 -41.93 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -133.87 -138.89 4.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.513 1.133 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.772 HD21 ' HB1' ' A' ' 36' ' ' ALA . 4.3 tt -162.05 152.38 17.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.339 0.67 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.909 HG12 ' HA ' ' A' ' 83' ' ' LEU . 6.0 m -80.91 102.74 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.458 ' HE2' HG21 ' A' ' 33' ' ' VAL . 1.4 t80 -136.33 160.26 39.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.77 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.2 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 114.25 38.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.42 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.1 Cg_endo -75.02 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.33 -4.45 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -120.64 -6.21 9.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.42 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 3.9 tt0 69.27 146.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -161.58 153.88 16.68 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.173 . . . . 0.0 110.995 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.94 -57.9 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.961 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.1 -28.38 6.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.03 167.48 22.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -32.47 5.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.909 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 pt? -129.89 176.48 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.861 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -74.93 145.19 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.431 ' HG3' HG23 ' A' ' 67' ' ' VAL . 25.1 pt20 -132.48 132.77 43.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.5 t -99.61 136.05 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.1 tt -127.44 117.63 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.593 HG21 ' HG2' ' A' ' 62' ' ' GLN . 35.5 t -89.16 151.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.24 125.86 28.07 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.47 63.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.411 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -109.68 -166.27 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 -152.48 28.59 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.1 pt-20 -140.52 144.54 36.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.539 ' OD1' ' CZ ' ' A' ' 96' ' ' PHE . 1.9 t70 -143.58 163.65 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.664 HD13 HD21 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -103.33 128.49 50.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.539 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.9 m-85 -122.34 165.68 15.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.2 158.36 49.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.47 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.0 -23.28 13.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -98.21 -0.54 43.94 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.552 ' O ' HG11 ' A' ' 47' ' ' VAL . 2.1 mm-40 -85.23 -65.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.528 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.7 pp -97.09 167.79 10.84 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -125.0 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.467 ' HA ' HG12 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -77.54 109.45 11.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.39 145.62 2.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.233 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.576 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 58.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.12 130.12 42.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.13 -33.08 3.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.633 1.208 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.67 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -48.42 162.04 0.36 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.208 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.13 -51.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 110.992 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 66' ' ' VAL . 10.5 m -132.41 177.55 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.5 ttt-85 -102.75 158.8 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 38.2 mm -64.25 139.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.89 11.36 66.27 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.14 134.22 38.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 0.708 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CG ' HG12 ' A' ' 65' ' ' ILE . 1.1 ttmt -93.41 107.26 19.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.796 HG12 HD12 ' A' ' 103' ' ' LEU . 30.5 m -106.48 171.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 9.7 ttpt -119.35 119.81 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.415 ' CG2' HG11 ' A' ' 86' ' ' VAL . 77.3 t -65.88 122.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.381 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.511 ' O ' HD11 ' A' ' 55' ' ' ILE . 4.3 p -60.91 128.52 89.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -23.43 13.71 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.488 1.783 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -177.23 3.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 109.645 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 t -115.71 112.1 21.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.077 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -101.14 -43.92 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -93.42 -65.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.38 -62.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.8 t -59.19 149.82 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.388 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.511 HD11 ' O ' ' A' ' 47' ' ' VAL . 5.5 tp -166.07 164.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.2 m -143.91 112.15 6.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.42 -31.81 70.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -60.41 -42.19 95.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -95.04 20.05 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 60' ' ' LEU . 10.1 tt -62.5 112.54 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.374 1.046 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.47 92.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.677 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -98.29 -173.37 2.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.46 0.741 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.455 ' HG1' ' HG3' ' A' ' 45' ' ' LYS . 13.6 m -157.13 119.43 3.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.453 1.096 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.32 -173.22 12.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.462 HG12 ' CG ' ' A' ' 43' ' ' LYS . 1.6 mt -117.2 158.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.786 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 38' ' ' VAL . 39.6 t -89.07 110.63 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.39 -49.95 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.402 1.064 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.613 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -118.6 -132.85 4.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.949 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.2 tt -174.21 165.69 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.343 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.949 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.5 m -97.92 104.2 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.843 ' CE2' HD22 ' A' ' 69' ' ' LEU . 6.3 m-85 -135.42 168.73 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.355 1.035 . . . . 0.0 111.046 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.64 106.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.601 1.188 . . . . 0.0 109.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.88 113.96 32.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.437 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.86 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.27 -2.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.81 11.58 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.14 149.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.07 154.51 13.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -75.05 -59.12 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.012 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -118.83 -28.71 5.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.14 155.69 55.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.2 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.736 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.4 tp -126.89 175.84 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.677 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.94 144.35 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 85' ' ' GLN . 5.5 pt20 -137.84 136.3 37.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.415 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.4 t -107.79 134.73 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.207 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.0 tt -122.27 125.11 45.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.677 HG21 ' HG2' ' A' ' 62' ' ' GLN . 25.7 t -95.03 152.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 72.45 15.62 77.33 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.589 1.18 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.51 -166.07 1.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.99 -165.17 28.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.65 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.1 pt-20 -130.94 134.4 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 1.7 t70 -133.21 165.97 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 95' ' ' LEU . 6.6 mp -101.7 135.85 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.62 168.79 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.483 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 27.8 m-85 -90.63 159.55 40.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.08 14.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.39 -10.01 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.483 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 2.3 mm-40 -74.15 -64.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.3 pp -98.71 168.11 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -129.51 168.27 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.796 HD12 HG12 ' A' ' 44' ' ' VAL . 2.9 tp -77.58 120.33 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.63 153.89 9.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 91.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.06 133.79 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.39 49.23 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.064 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.624 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . . . -129.37 163.01 49.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 17.9 Cg_endo -75.12 -56.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.892 HG21 HG21 ' A' ' 66' ' ' VAL . 15.4 m -126.03 177.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.393 1.058 . . . . 0.0 109.392 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -108.58 154.19 22.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.221 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 69' ' ' LEU . 34.4 mm -61.5 135.26 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.64 12.49 83.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -81.9 137.04 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.417 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -93.4 119.68 32.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.606 1.191 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.888 HG12 HD12 ' A' ' 103' ' ' LEU . 29.0 m -120.59 171.83 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -123.54 116.14 22.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.1 t -67.61 113.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.28 161.18 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.535 1.808 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -118.96 158.58 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.636 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.424 ' CB ' HG12 ' A' ' 55' ' ' ILE . 33.8 t -115.82 169.04 9.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.604 1.19 . . . . 0.0 110.015 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.57 -26.41 18.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.92 -84.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.67 -53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.59 1.181 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 t -59.23 134.39 56.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.431 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -156.91 163.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 55' ' ' ILE . 92.7 p -116.96 122.48 44.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -87.78 -19.72 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.96 -28.6 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CE1' HD22 ' A' ' 91' ' ' LEU . 56.5 m-85 -110.51 22.01 15.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -60.24 97.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.72 27.08 36.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.593 1.183 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.1 177.44 5.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -145.97 123.68 11.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.357 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.67 -172.57 13.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.4 mt -117.71 155.52 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.39 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.892 HG21 HG21 ' A' ' 38' ' ' VAL . 13.6 t -85.65 112.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.29 -31.28 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.554 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -135.26 144.26 16.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 1.032 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.0 tt -106.02 158.36 16.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.066 HG13 HG23 ' A' ' 84' ' ' ILE . 10.7 m -89.56 104.74 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.731 ' CD2' HD22 ' A' ' 69' ' ' LEU . 3.5 m-85 -134.72 169.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.43 106.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.214 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.54 117.86 69.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.53 -2.72 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -126.08 7.0 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 58.92 154.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -164.6 155.88 13.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.596 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -57.67 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 -0.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.87 -27.64 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD2' HD21 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -130.98 160.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.56 1.821 . . . . 0.0 111.014 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.851 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -106.11 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.066 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.4 145.03 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' HB3' HD23 ' A' ' 95' ' ' LEU . 20.0 pt20 -134.02 131.94 39.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.84 147.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -134.39 131.96 38.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.393 1.058 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.9 t -102.76 152.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 126.33 29.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.16 5.47 81.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.406 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -121.17 -166.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.412 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.31 -157.47 29.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.3 pt-20 -142.04 135.78 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.45 166.68 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' CB ' HD11 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -101.56 132.67 47.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.621 1.201 . . . . 0.0 109.335 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 83' ' ' LEU . 99.0 m-85 -126.88 170.56 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PHE . . . . . 0.485 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -92.19 160.02 36.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.941 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.09 -26.72 10.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 3.0 tp10 -96.53 -10.97 26.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' GLU . . . . . 0.485 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 6.4 mt-10 -70.13 -66.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.2 pp -97.37 156.99 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.49 168.46 9.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.888 HD12 HG12 ' A' ' 44' ' ' VAL . 8.9 tp -78.15 130.33 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.56 154.67 23.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.573 1.828 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.594 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 42.1 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.01 144.08 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 79.65 91.94 0.4 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.39 1.056 . . . . 0.0 111.019 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.783 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -166.26 160.5 12.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.95 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.909 HG12 ' CD1' ' A' ' 103' ' ' LEU . 19.5 m -122.59 177.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -112.96 160.57 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.42 132.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.95 13.83 80.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -81.12 137.28 35.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.45 ' HG3' HD11 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -93.36 107.43 19.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.397 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' HB ' HD13 ' A' ' 101' ' ' LEU . 33.8 m -106.95 170.02 2.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 119.29 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 122.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.615 HG22 ' H ' ' A' ' 49' ' ' HIS . 7.9 p -60.01 123.2 71.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' HIS . . . . . 0.615 ' H ' HG22 ' A' ' 47' ' ' VAL . 30.4 m170 -104.09 162.89 12.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.583 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.8 t -103.27 117.58 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -108.14 -42.41 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -87.33 -61.22 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.78 -72.78 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -73.74 132.36 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 0.837 . . . . 0.0 110.458 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -144.69 159.57 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.9 t -95.02 118.54 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.923 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -19.37 60.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -77.37 -41.38 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PHE . . . . . 0.458 ' CE1' HD22 ' A' ' 91' ' ' LEU . 46.0 m-85 -93.98 17.02 13.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.9 87.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 90.85 44.33 4.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.39 1.056 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.88 174.22 6.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 0.766 . . . . 0.0 110.363 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.6 m -135.8 124.84 24.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 110.482 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.67 -177.61 15.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.059 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.45 HD11 ' HG3' ' A' ' 43' ' ' LYS . 1.5 mt -115.47 155.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.695 HG21 HG21 ' A' ' 38' ' ' VAL . 48.1 t -84.9 130.41 36.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.75 -44.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.23 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -123.81 -132.71 3.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.878 HD22 ' CD2' ' A' ' 71' ' ' PHE . 5.0 tt -170.54 172.4 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 83' ' ' LEU . 2.2 m -105.59 102.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.878 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -137.91 169.42 17.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.1 106.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.83 116.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -164.64 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -1.82 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.77 7.89 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.3 154.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.587 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -164.62 153.07 10.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.12 -56.86 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 0.047 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -115.62 -28.23 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.8 165.84 27.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -30.87 6.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.991 HD21 HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -127.38 176.25 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -74.05 145.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 1.4 pm0 -132.85 140.71 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.27 146.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.8 tt -136.45 116.23 13.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.39 153.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.36 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 133.91 49.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.6 11.05 40.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.458 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -123.38 -165.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.39 -161.07 29.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.6 pt-20 -136.75 136.55 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.545 ' C ' HD12 ' A' ' 95' ' ' LEU . 5.0 t70 -128.74 166.12 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.991 HD23 HD21 ' A' ' 83' ' ' LEU . 1.4 mp -101.53 130.2 47.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 84.1 m-85 -129.97 170.63 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -99.55 159.29 30.41 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PRO . . . . . 0.403 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -19.19 18.04 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.593 1.838 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.46 -0.88 39.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.68 -64.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.468 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.6 pp -97.15 165.71 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -124.72 168.58 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.909 ' CD1' HG12 ' A' ' 38' ' ' VAL . 2.1 mp -77.33 121.58 23.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . . . -54.75 145.75 39.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 -54.03 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.685 ' C ' ' O ' ' A' ' 105' ' ' PRO . 22.2 tt0 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 13.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 139.44 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.32 72.22 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.405 1.065 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -153.24 155.18 31.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.685 ' O ' HD11 ' A' ' 69' ' ' LEU . 3.6 m -136.96 177.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.389 1.055 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.9 175.44 6.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' A' ' 69' ' ' LEU . 43.2 mm -79.53 146.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.46 4.77 58.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -67.81 133.07 48.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 0.82 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' HD11 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -94.28 112.71 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' HB ' HD13 ' A' ' 101' ' ' LEU . 35.4 m -107.19 171.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 104' ' ' ALA . 4.4 ttpt -130.79 120.48 23.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -73.1 102.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.211 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.443 ' H ' HG22 ' A' ' 47' ' ' VAL . 2.6 m -70.85 160.83 80.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.429 1.752 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.78 117.12 3.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -104.98 101.64 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -44.94 5.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.92 167.37 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.69 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.586 1.179 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -114.38 135.3 54.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -131.45 161.93 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 57.4 m -90.42 120.89 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -75.97 -29.92 58.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -69.16 -57.74 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.196 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.29 -8.38 31.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.58 94.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.81 27.11 8.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.84 176.35 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 110.344 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 m -132.3 132.87 43.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.462 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -142.52 -170.83 12.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.2 mt -129.09 154.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 68' ' ' GLY . 20.9 t -81.23 111.11 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.45 -45.21 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -126.81 -129.82 3.31 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.948 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.3 tt -173.3 162.82 4.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 0.74 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 1.027 HG13 HG23 ' A' ' 84' ' ' ILE . 10.3 m -93.46 104.38 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.791 ' CE2' HD22 ' A' ' 69' ' ' LEU . 8.1 m-85 -135.37 169.12 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.42 106.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.01 120.28 79.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.5 Cg_endo -75.03 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.32 -3.05 34.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 t -126.91 8.09 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLN . . . . . 0.402 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 2.6 mt-30 58.88 154.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.49 155.83 13.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 79' ' ' PRO . . . . . 0.594 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.94 -57.71 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.986 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.51 ' OD2' ' NE2' ' A' ' 85' ' ' GLN . 21.5 p-10 -114.58 -27.69 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.537 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 9.4 m-20 -131.35 158.94 73.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.19 16.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 95' ' ' LEU . 1.3 pt? -129.76 175.92 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 1.027 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.28 145.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLN . . . . . 0.564 ' CB ' HD23 ' A' ' 95' ' ' LEU . 4.4 pt20 -130.67 133.1 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.462 HG13 ' HA3' ' A' ' 64' ' ' GLY . 2.5 t -100.74 136.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 88' ' ' VAL . 7.1 tt -126.76 116.04 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' VAL . . . . . 0.454 HG11 HD13 ' A' ' 91' ' ' LEU . 53.2 t -85.91 152.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -69.67 132.06 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.31 9.79 44.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -120.01 -165.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.2 -150.49 27.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -144.95 144.65 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -144.24 165.53 27.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.861 HD13 HD21 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -104.0 135.44 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 96' ' ' PHE . . . . . 0.595 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 92.8 m-85 -131.11 170.25 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.0 159.13 35.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -23.92 13.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -99.46 1.85 44.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.16 -63.91 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.3 pp -96.82 160.12 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.25 168.58 11.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.488 HD11 ' CG1' ' A' ' 38' ' ' VAL . 1.4 mp -77.31 136.43 38.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 45' ' ' LYS . . . -75.73 150.9 84.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -54.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.456 0.169 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.7 tp -72.48 143.83 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -84.02 99.64 10.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.1 144.74 29.29 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 90.02 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.8 p -77.58 -24.81 49.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.946 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 tp -115.06 142.59 46.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.0 mt -117.2 130.17 72.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.434 1.084 . . . . 0.0 109.373 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.94 142.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.5 p -118.37 167.07 11.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.231 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -64.6 179.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.562 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.3 118.93 10.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.6 t -81.26 132.43 31.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 132.02 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.07 59.08 1.0 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -138.16 162.68 52.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.91 -54.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.738 . . . . 0.0 111.005 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.832 HG21 HG21 ' A' ' 66' ' ' VAL . 27.3 m -132.61 177.51 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 7.4 ttt180 -103.7 152.54 21.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 69' ' ' LEU . 25.4 mm -63.54 138.42 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.78 6.41 89.07 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -85.49 137.31 32.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 0.731 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -94.22 119.84 33.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 86' ' ' VAL . 30.9 m -111.93 171.96 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -120.2 121.55 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.3 t -66.02 114.3 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.732 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.7 p -60.03 140.72 90.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.642 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.5 Cg_endo -74.95 -49.74 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.751 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 149.57 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -92.82 141.78 28.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 -41.41 5.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -90.54 -59.56 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.51 -41.14 0.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -88.25 132.49 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -151.93 162.95 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.437 ' N ' HG23 ' A' ' 55' ' ' ILE . 38.2 t -104.69 118.05 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -72.28 -28.91 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -68.99 -49.32 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.46 ' HD1' HG21 ' A' ' 88' ' ' VAL . 28.2 m-85 -78.29 -19.71 53.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER -50.18 93.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.068 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 108.49 40.65 1.59 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.444 ' HG2' HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -133.89 -177.38 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 m -149.28 115.4 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 1.157 . . . . 0.0 110.376 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.64 -176.17 14.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.4 mt -113.53 150.62 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.832 HG21 HG21 ' A' ' 38' ' ' VAL . 78.5 t -77.49 110.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.1 t -77.83 -35.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 84' ' ' ILE . . . -130.88 145.98 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.0 tt -111.25 153.08 26.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.057 HG13 HG23 ' A' ' 84' ' ' ILE . 5.3 m -82.65 105.07 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.217 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.862 ' CE2' HD22 ' A' ' 69' ' ' LEU . 19.9 m-85 -134.59 169.04 17.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.52 106.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.384 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.44 114.19 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.404 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.93 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.81 -3.42 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -127.18 11.05 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 59.99 148.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.611 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.08 154.09 12.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.7 Cg_endo -74.88 -57.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.042 -2.482 . . . . 0.0 111.041 -0.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -115.36 -28.08 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.44 160.07 69.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.186 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.07 7.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.796 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -123.39 176.02 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.057 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -75.12 144.9 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.78 134.35 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 t -105.57 133.22 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.043 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 88' ' ' VAL . 7.1 tt -117.71 119.77 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.558 ' O ' HD23 ' A' ' 87' ' ' LEU . 53.6 t -81.59 152.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.14 117.01 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.87 -9.07 60.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.527 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -102.79 -167.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.35 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.18 -159.81 34.25 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.2 pt-20 -135.27 138.14 43.22 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 0.771 . . . . 0.0 110.204 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -132.45 165.75 23.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -102.27 124.51 47.98 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.402 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.5 m-85 -121.06 166.68 13.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.98 158.02 35.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.131 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -15.39 21.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -99.2 -5.68 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 110.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.732 ' O ' HG11 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -87.53 -65.64 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.0 pp -97.19 163.67 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -127.01 168.23 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.413 HD12 HG12 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -77.49 120.66 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.29 150.93 7.83 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.37 1.044 . . . . 0.0 109.236 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.483 0.182 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -40.65 154.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -92.56 80.2 4.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.607 1.192 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.49 139.57 29.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 109.63 2.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.543 1.812 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.5 p -51.94 -42.46 62.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.81 142.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pp -101.88 148.56 7.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -131.86 137.67 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.9 m -118.68 120.17 36.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -162.71 172.08 15.83 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.12 . . . . 0.0 109.587 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.77 124.95 48.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 29.6 t -89.26 140.39 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 135.87 57.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.36 70.08 0.97 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.554 1.159 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -150.04 160.44 33.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.573 0.808 . . . . 0.0 109.214 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.1 Cg_endo -75.1 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.412 1.743 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' VAL . 31.2 m -121.05 177.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -107.96 144.23 35.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.7 mm -53.48 131.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.26 81.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -82.29 132.59 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.626 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -93.37 114.71 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HB ' HD13 ' A' ' 101' ' ' LEU . 16.3 m -108.42 172.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -119.34 114.07 21.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.43 126.03 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.598 HG23 HD11 ' A' ' 55' ' ' ILE . 1.7 m -55.47 161.08 3.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.468 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.0 Cg_endo -75.04 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -109.11 171.8 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.417 ' N ' HG12 ' A' ' 55' ' ' ILE . 45.6 t -62.99 138.6 58.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.86 8.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.35 -56.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.68 -68.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -60.73 133.9 56.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 0.0 110.311 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.598 HD11 HG23 ' A' ' 47' ' ' VAL . 5.2 tp -165.33 162.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.385 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.0 m -141.31 131.31 24.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -74.36 -19.69 60.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.374 1.046 . . . . 0.0 110.315 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 9.7 mtt180 -67.86 -48.74 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 110.254 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -89.54 21.83 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.0 tt -66.69 91.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.54 36.85 7.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -110.84 -176.28 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.626 HG22 ' CD ' ' A' ' 43' ' ' LYS . 36.6 m -147.9 122.84 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.402 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -136.63 -177.87 15.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.7 mt -115.01 157.06 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 38' ' ' VAL . 43.2 t -87.22 105.06 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.383 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.95 -30.46 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.455 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -135.01 136.86 8.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.966 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.7 tt -100.93 161.87 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.966 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.8 m -90.83 103.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.805 ' CE2' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -135.71 169.03 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -42.48 106.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.37 120.33 80.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.36 35.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 12.5 t -130.22 11.13 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' THR . 21.4 mt-30 59.55 150.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.72 155.75 13.07 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.939 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.578 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -74.99 -57.18 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.988 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.64 -27.71 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.5 166.94 25.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.879 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.2 tp -105.19 176.43 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.797 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -74.57 144.7 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.588 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.5 pt20 -137.03 128.31 28.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.402 HG13 ' HA3' ' A' ' 64' ' ' GLY . 2.6 t -96.17 139.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 88' ' ' VAL . 6.6 tt -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 91' ' ' LEU . 42.8 t -96.38 152.95 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.01 122.02 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.25 5.32 76.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -115.99 -166.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.352 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.54 -158.85 30.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.3 133.24 27.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 110.334 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.14 166.48 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 85' ' ' GLN . 0.3 OUTLIER -101.65 128.23 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -125.99 170.23 11.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -98.1 158.71 32.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.09 -17.02 19.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 -8.57 24.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -65.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.57 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.0 pp -97.03 154.72 17.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.205 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.97 168.22 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tt -82.43 124.45 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.65 154.67 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.58 1.832 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.325 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.544 0.211 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -41.54 113.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -82.97 -171.63 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 110.236 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -40.5 153.69 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.372 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 176.85 9.38 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 t -55.91 -28.17 55.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.01 129.69 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.9 128.6 40.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.728 HD13 ' N ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -100.66 115.99 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.728 ' N ' HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -113.48 141.61 46.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.37 -179.91 5.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.67 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.89 171.19 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 95.0 t -128.85 135.06 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.68 144.36 18.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.93 -37.03 4.03 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.753 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -42.14 160.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.346 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -75.01 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 66' ' ' VAL . 25.1 m -124.4 177.41 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -110.67 141.86 43.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 69' ' ' LEU . 27.4 mm -53.54 138.69 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.35 22.6 75.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -98.39 133.54 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HE2' HG22 ' A' ' 63' ' ' THR . 13.2 tttt -93.55 117.0 29.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -113.96 171.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -117.8 117.21 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG2' HG11 ' A' ' 86' ' ' VAL . 97.4 t -67.62 114.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -55.29 160.73 3.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.506 1.793 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -117.62 130.35 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -71.43 165.39 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.06 -16.37 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.06 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.51 -53.49 0.07 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.426 HG22 ' OE2' ' A' ' 100' ' ' GLU . 12.0 t -58.91 139.02 57.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 55' ' ' ILE . 6.4 tp -169.03 165.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -139.66 117.91 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.588 1.18 . . . . 0.0 110.119 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -69.38 -7.86 41.31 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -48.02 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -89.53 13.99 12.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.41 94.33 0.06 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.1 8.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.585 1.178 . . . . 0.0 111.058 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -111.33 173.42 6.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.498 HG22 ' HE2' ' A' ' 43' ' ' LYS . 2.8 m -134.98 112.32 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.42 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -128.37 -179.57 15.97 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.9 mt -113.09 158.46 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 109.347 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 38' ' ' VAL . 60.6 t -85.19 114.17 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.1 t -79.14 -38.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.19 147.38 18.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.994 HD22 ' CE2' ' A' ' 71' ' ' PHE . 5.9 tt -108.69 158.28 17.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.237 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.073 HG13 HG23 ' A' ' 84' ' ' ILE . 13.0 m -90.03 105.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.994 ' CE2' HD22 ' A' ' 69' ' ' LEU . 31.9 m-85 -134.19 169.14 17.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.925 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.7 p-10 -42.43 106.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.97 113.49 18.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.419 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.87 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.91 -2.73 57.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.1 t -128.93 13.28 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.25 147.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.595 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -164.41 153.25 11.41 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 111.059 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.03 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.987 -0.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.11 -28.34 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 85' ' ' GLN . 1.6 m-20 -132.56 166.04 31.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.923 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.8 tp -109.61 175.79 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.073 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -75.59 145.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.443 ' NE2' ' OD2' ' A' ' 81' ' ' ASP . 1.4 pt20 -135.5 143.12 45.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 110.38 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.44 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.1 t -109.14 143.04 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 tt -132.89 120.89 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.5 t -91.37 151.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 121.15 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.66 -10.3 59.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -166.32 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.52 -147.28 21.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -140.38 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.264 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.701 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -101.83 133.27 46.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -133.04 170.43 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.077 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -97.76 158.92 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.06 -20.05 17.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.761 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 2.53 45.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.426 ' OE2' HG22 ' A' ' 54' ' ' THR . 9.2 mt-10 -93.96 -61.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.3 pp -97.03 159.28 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.38 168.49 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.21 126.04 30.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.04 153.77 64.46 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.259 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.55 0.214 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.8 tp -135.33 147.76 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.9 141.21 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -117.49 86.06 21.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 111.01 3.23 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.2 p -111.8 -51.03 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.055 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.71 169.76 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.33 133.89 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.4 pt -75.65 145.72 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.1 p -120.97 136.94 54.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.302 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.03 175.34 14.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.412 1.07 . . . . 0.0 109.702 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.07 148.82 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.51 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 49.9 t -101.9 149.42 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -53.47 131.12 37.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.99 83.05 1.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.61 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -159.29 155.88 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.368 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.578 ' O ' HD11 ' A' ' 69' ' ' LEU . 17.2 m -129.77 177.47 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.14 157.64 16.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.0 143.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.03 10.24 84.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.72 141.56 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 0.717 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -97.68 118.08 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.67 ' HB ' HD13 ' A' ' 101' ' ' LEU . 28.3 m -110.69 169.92 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -117.98 116.18 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.9 t -65.92 119.44 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.575 HG22 ' H ' ' A' ' 49' ' ' HIS . 13.2 p -62.5 121.45 67.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.641 1.213 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.88 17.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.575 ' H ' HG22 ' A' ' 47' ' ' VAL . 85.8 t60 -111.39 143.77 41.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -97.15 134.86 39.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -112.96 -45.14 3.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.43 -69.76 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.5 -51.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 t -65.75 134.07 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 110.429 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.431 HD13 ' H ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -166.25 161.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.431 ' H ' HD13 ' A' ' 55' ' ' ILE . 26.9 t -126.69 116.1 20.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.474 1.109 . . . . 0.0 109.937 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' LEU . 57.7 tt0 -60.35 -39.26 86.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -53.2 -49.58 66.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -89.13 19.35 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 57' ' ' GLN . 7.8 tp -54.72 99.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.57 48.95 67.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -179.76 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.783 . . . . 0.0 110.22 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.72 115.73 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -137.11 176.02 20.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.153 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 1.4 mm -103.22 156.94 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 38' ' ' VAL . 24.6 t -88.5 112.52 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.8 t -79.57 -32.72 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.494 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -130.9 146.05 17.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.1 tt -110.46 156.51 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.051 HG13 HG23 ' A' ' 84' ' ' ILE . 18.0 m -87.3 106.74 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.938 ' CE2' HD22 ' A' ' 69' ' ' LEU . 29.9 m-85 -134.39 169.09 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.45 106.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' A' ' 82' ' ' PRO . 1.2 m-20 -78.58 114.68 45.4 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -3.1 37.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.0 t -126.91 9.15 6.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.592 1.182 . . . . 0.0 110.354 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 59.3 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.52 154.17 12.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.563 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.96 -57.85 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.014 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.39 -27.95 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.216 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -130.4 156.47 79.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.206 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 73' ' ' ASP . 18.2 Cg_endo -74.94 -19.02 18.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.813 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.5 pt? -131.03 175.8 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.051 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.48 144.82 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 8.1 pt20 -130.87 133.73 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 44' ' ' VAL . 2.2 t -105.01 147.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.9 tt -134.81 118.35 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.39 150.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.12 130.27 42.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.78 1.92 59.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.614 1.196 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.56 -165.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.78 -153.16 28.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.534 ' HB3' HD12 ' A' ' 87' ' ' LEU . 4.7 pt-20 -140.91 136.94 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -134.81 164.63 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.24 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.38 127.22 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 91.4 m-85 -124.23 170.35 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -96.03 158.26 34.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.72 19.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.11 -6.92 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.28 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.97 -62.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.67 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.5 pp -97.22 167.78 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -128.26 168.31 15.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.535 HD12 HG12 ' A' ' 44' ' ' VAL . 6.8 tp -77.54 131.42 37.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.32 154.4 84.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.2 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.537 0.208 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -112.96 136.77 48.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.29 146.58 26.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.87 127.93 50.08 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.09 7.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.418 1.746 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.5 t -92.94 -43.42 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.062 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.69 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.163 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 mt -102.32 122.23 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 pp -80.38 139.66 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.0 p -105.07 149.84 25.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.362 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -104.88 177.43 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.652 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.04 138.04 57.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 46.8 t -78.33 146.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.44 131.33 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.598 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 95.69 90.04 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.567 1.167 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.946 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -166.24 162.28 12.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -75.06 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.39 1.731 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.951 HG21 HG21 ' A' ' 66' ' ' VAL . 15.7 m -130.06 177.3 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.382 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -109.77 140.99 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 69' ' ' LEU . 28.2 mm -55.63 132.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.61 17.89 79.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -92.66 143.94 25.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.56 116.04 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.768 HG12 HD12 ' A' ' 103' ' ' LEU . 31.4 m -114.87 171.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.442 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 17.1 ttpt -120.73 119.63 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG2' HG11 ' A' ' 86' ' ' VAL . 53.7 t -67.14 117.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.386 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.425 ' H ' HG12 ' A' ' 47' ' ' VAL . 1.5 p -55.36 128.82 68.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.98 -46.32 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.04 144.01 30.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -112.07 90.22 3.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.72 -42.31 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -176.59 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.12 -67.86 1.74 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.85 142.48 53.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 55' ' ' ILE . 3.1 tp -165.67 166.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -145.8 114.93 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -75.96 -13.72 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.275 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.752 ' HG2' HD21 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -81.55 -29.98 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -103.5 13.32 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 48' ' ' PRO . 4.8 tp -60.03 116.1 3.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.08 32.37 83.94 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' C ' ' HG1' ' A' ' 63' ' ' THR . 0.4 OUTLIER -99.62 -171.49 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.493 ' HG1' ' HG3' ' A' ' 45' ' ' LYS . 9.1 m -156.52 120.11 4.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.505 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.76 -165.46 10.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.2 mt -124.21 151.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.951 HG21 HG21 ' A' ' 38' ' ' VAL . 40.4 t -80.66 113.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.57 -39.36 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -137.29 151.22 21.02 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.946 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -98.82 176.46 5.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 0.823 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.11 HG13 HG23 ' A' ' 84' ' ' ILE . 4.3 m -115.94 104.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.636 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -135.13 169.7 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.389 1.056 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -41.88 106.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -76.49 116.77 59.4 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 109.259 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.422 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -74.95 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.489 1.783 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.25 -1.75 28.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 t -128.31 7.49 5.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.422 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 2.1 mt-30 58.7 154.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -164.52 153.67 11.62 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -59.98 0.1 OUTLIER 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.972 -0.069 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -119.45 -28.99 5.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.75 160.3 47.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.06 5.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.783 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 tp -129.99 175.54 8.79 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 1.131 . . . . 0.0 109.389 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.11 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -75.52 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -132.85 133.31 43.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.4 t -103.76 136.1 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.3 tt -123.94 122.59 38.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.65 151.44 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 126.34 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.88 -1.34 63.17 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.752 HD21 ' HG2' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -112.83 -168.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.606 0.827 . . . . 0.0 109.353 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.72 -150.09 26.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.1 pt-20 -142.76 143.22 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 0.763 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.7 t70 -142.04 165.45 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -103.6 132.28 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.402 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 98.1 m-85 -126.47 169.94 12.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -93.39 157.82 38.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -20.94 16.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -99.08 5.56 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.74 -61.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.9 pp -97.12 166.38 11.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.98 168.35 16.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 44' ' ' VAL . 3.8 tp -77.5 131.76 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.01 152.58 90.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.05 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.416 1.745 . . . . 0.0 110.963 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 tmm? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.487 0.184 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 22' ' ' ILE . 2.9 tp -153.19 44.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.263 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 46.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.01 144.81 98.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 109.14 2.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.588 1.836 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -104.13 -43.45 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 9.3 mp -73.07 131.28 41.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.535 ' C ' HD12 ' A' ' 29' ' ' ILE . 10.1 mm -106.18 112.88 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.535 HD12 ' C ' ' A' ' 28' ' ' ILE . 5.1 mp -144.17 121.81 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.6 156.17 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 108.279 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -142.36 171.0 14.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.48 145.43 55.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.492 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.8 t -118.35 135.37 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.91 125.3 22.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.405 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.82 65.27 0.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . . . -147.34 159.34 42.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.505 1.792 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.539 ' O ' HD11 ' A' ' 69' ' ' LEU . 22.2 m -131.96 177.74 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -99.38 148.4 24.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 110.353 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.37 137.99 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.17 17.01 73.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -81.84 145.07 30.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -93.43 109.43 21.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 103' ' ' LEU . 26.8 m -109.75 171.9 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -126.43 119.78 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.97 133.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.882 ' O ' HD11 ' A' ' 55' ' ' ILE . 3.4 p -70.35 136.25 86.5 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.214 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.492 ' HA ' HD12 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.99 -36.95 2.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.803 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 47' ' ' VAL . 5.5 m170 -91.13 158.37 16.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -117.3 125.49 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -111.91 -45.48 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 53' ' ' GLY . 4.1 t70 -71.63 -91.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -175.87 33.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -149.88 134.26 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.882 HD11 ' O ' ' A' ' 47' ' ' VAL . 8.1 tp -171.66 158.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -136.91 118.38 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.68 -32.32 71.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.453 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.3 OUTLIER -62.02 -35.89 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CE1' HD22 ' A' ' 91' ' ' LEU . 28.5 m-85 -101.3 18.69 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 48' ' ' PRO . 12.7 tp -60.07 110.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.86 28.39 73.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.389 1.056 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -91.68 172.4 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 110.312 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 m -141.01 115.05 9.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.72 -179.33 16.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mt -111.48 154.45 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.791 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 HG21 ' A' ' 38' ' ' VAL . 58.9 t -89.41 105.4 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 85' ' ' GLN . 8.9 p -77.42 -23.17 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -135.79 134.99 7.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.008 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.1 tt -107.4 158.24 17.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.05 HG13 HG23 ' A' ' 84' ' ' ILE . 18.8 m -88.72 104.99 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.783 ' CD2' HD22 ' A' ' 69' ' ' LEU . 5.8 m-85 -134.68 169.16 17.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.36 106.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.363 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.94 116.64 55.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.257 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.452 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.91 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.546 1.814 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.99 -7.24 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.557 ' O ' HG22 ' A' ' 76' ' ' THR . 4.8 m -123.51 12.16 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.44 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' THR . 2.7 mt-30 59.79 149.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.7 154.75 12.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.565 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -58.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.958 -0.056 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.95 -28.0 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.47 163.99 46.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -53.48 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.887 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.7 pt? -100.55 175.92 5.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.05 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.29 144.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 67' ' ' VAL . 13.2 pt20 -137.09 130.11 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -99.0 146.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.5 tt -134.09 117.63 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 91' ' ' LEU . 47.3 t -85.54 152.64 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.24 133.63 48.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.13 11.15 44.33 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.375 1.047 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -121.16 -165.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 0.705 . . . . 0.0 109.266 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.78 -155.02 30.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.643 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.4 pt-20 -142.58 134.12 26.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 2.0 t70 -132.31 166.65 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.548 HD22 HD21 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -101.79 130.54 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.942 ' HB3' HD11 ' A' ' 101' ' ' LEU . 92.7 m-85 -126.34 162.35 25.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -91.28 159.74 38.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.2 19.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.85 -0.94 38.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.684 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.4 mm-40 -83.59 -70.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.942 HD11 ' HB3' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -100.27 168.98 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.203 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -118.05 160.75 20.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.559 1.162 . . . . 0.0 110.228 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 104' ' ' ALA . 2.5 tt -80.55 126.42 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.54 ' N ' HD23 ' A' ' 103' ' ' LEU . . . -74.1 147.19 85.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -54.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.479 0.18 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.65 HD13 ' N ' ' A' ' 23' ' ' GLN . 0.2 OUTLIER -174.61 124.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.65 ' N ' HD13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -121.37 162.05 21.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -129.03 144.82 54.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.627 1.205 . . . . 0.0 109.265 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 158.7 41.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -39.51 -40.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -49.6 114.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 pt -104.72 145.83 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.31 147.62 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.8 m -119.6 160.38 22.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 108.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -103.36 175.97 5.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.38 132.49 34.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 26.9 t -84.84 151.74 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.43 140.94 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.512 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 85.7 88.92 0.93 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.88 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.59 159.2 13.56 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.584 0.814 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.99 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 66' ' ' VAL . 11.7 m -124.49 177.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -112.25 144.13 42.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 69' ' ' LEU . 41.9 mm -56.14 130.45 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.38 17.32 80.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.81 142.81 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 0.778 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 22.8 tttt -93.47 123.86 37.07 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.598 1.186 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 103' ' ' LEU . 18.9 m -126.64 172.38 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.76 121.45 40.86 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.08 120.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG11 ' C ' ' A' ' 100' ' ' GLU . 2.1 p -60.97 130.78 91.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.04 -41.65 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.524 1.802 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.94 140.97 58.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.508 1.13 . . . . 0.0 109.534 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.1 t -95.98 109.28 21.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -108.29 -44.71 4.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.69 159.77 14.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.32 -37.39 39.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.04 132.54 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 55' ' ' ILE . 3.2 tp -161.32 165.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.23 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 t -145.87 120.36 9.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -79.19 -18.08 53.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -46.25 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.1 m-85 -83.74 -11.8 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 99.87 46.02 1.98 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.405 1.065 . . . . 0.0 111.028 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HB3' HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -135.23 -168.4 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 44' ' ' VAL . 76.8 m -156.6 115.94 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.5 -176.46 14.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 mt -113.01 152.04 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 38' ' ' VAL . 38.5 t -89.27 116.65 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.44 -60.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.178 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -108.0 156.05 15.97 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.88 HD21 ' HB1' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -106.13 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -136.93 169.41 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.11 106.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -68.59 114.11 20.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.46 -0.1 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.1 t -129.56 9.71 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.29 148.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.351 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.74 154.62 12.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.575 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 17.9 Cg_endo -75.06 -59.36 0.12 OUTLIER 'Cis proline' 0 C--N 1.361 1.218 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.924 -0.064 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.03 -28.01 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.1 165.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.668 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -113.48 175.14 5.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 68' ' ' GLY . 1.2 pt -75.42 142.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.595 1.185 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HB3' HD23 ' A' ' 95' ' ' LEU . 6.7 pt20 -136.58 129.69 31.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.47 136.46 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -125.24 124.45 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.41 HG21 ' HB3' ' A' ' 62' ' ' GLN . 17.0 t -93.48 151.96 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.38 123.06 19.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.77 -7.55 62.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -166.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 0.81 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.0 -157.8 28.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.638 ' HB3' HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -136.86 140.17 42.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 5.7 t70 -137.39 166.63 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.56 134.54 44.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -130.54 170.44 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -95.12 158.28 35.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -17.97 18.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.22 -5.24 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.464 ' C ' HG11 ' A' ' 47' ' ' VAL . 3.0 mt-10 -85.37 -64.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -97.04 161.74 13.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.054 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -119.63 168.45 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.651 ' HA ' HG12 ' A' ' 44' ' ' VAL . 4.3 tp -77.33 124.85 28.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -50.95 149.19 6.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.217 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -55.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.364 1.718 . . . . 0.0 110.969 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.7 ptt? . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.5 tp -162.89 135.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -158.18 122.38 4.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -128.45 141.44 41.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.224 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 161.63 38.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.434 1.755 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -123.31 -43.43 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -159.71 143.27 14.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.353 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 28' ' ' ILE . 5.4 mp -130.76 137.35 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -103.53 136.46 36.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.91 140.04 49.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.413 1.071 . . . . 0.0 108.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -119.31 176.29 5.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.586 1.179 . . . . 0.0 109.554 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.3 137.82 54.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 t -109.56 131.61 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -50.49 131.91 25.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.82 79.2 1.45 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -161.47 159.44 23.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -33.33 4.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.505 HG21 HG21 ' A' ' 66' ' ' VAL . 4.7 m -126.78 177.99 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -119.62 144.92 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.94 127.09 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' HA2' ' CG2' ' A' ' 65' ' ' ILE . . . 77.35 11.36 85.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.579 1.174 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.24 141.56 39.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 63' ' ' THR . 25.7 tttt -93.96 116.3 28.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.244 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG12 HD12 ' A' ' 103' ' ' LEU . 27.7 m -115.33 172.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 11.8 ttpt -125.36 122.49 36.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.06 113.78 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -55.32 160.87 3.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.645 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.11 119.7 36.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -69.3 174.15 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' OG ' ' A' ' 50' ' ' SER . 8.3 mt-10 -103.62 -24.46 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -73.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.94 -45.42 0.08 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.9 t -62.07 134.2 56.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 0.816 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.416 HD13 ' H ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -159.56 159.63 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.416 ' H ' HD13 ' A' ' 55' ' ' ILE . 12.1 t -127.39 110.45 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.932 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.37 -27.45 68.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -65.53 -39.57 91.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . 25.6 m-85 -91.39 -19.56 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.668 1.23 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 60' ' ' LEU . 3.3 tt -49.21 94.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 106.64 36.74 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.603 1.189 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -168.66 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 44' ' ' VAL . 19.4 m -157.2 113.14 2.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.186 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.8 -177.4 16.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -118.24 150.48 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 68' ' ' GLY . 22.6 t -84.72 116.34 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.643 1.214 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.559 HG12 ' CG ' ' A' ' 85' ' ' GLN . 12.1 p -79.79 -33.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.692 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -121.37 -145.04 7.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 36' ' ' ALA . 1.3 tt -174.66 175.03 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 0.719 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.036 HG13 HG23 ' A' ' 84' ' ' ILE . 13.0 m -106.0 103.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.199 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -136.46 169.21 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 106.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -81.79 115.64 58.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.7 Cg_endo -74.98 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.22 -4.38 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 10.4 t -124.34 3.11 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.423 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 33.3 mt-30 59.36 151.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.376 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -158.77 154.65 23.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.98 -58.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.028 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -116.77 -27.97 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.59 161.89 56.37 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -34.02 4.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.901 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.5 pt? -116.04 175.9 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.036 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -74.89 145.18 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.559 ' CG ' HG12 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -130.37 139.1 50.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.97 141.85 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' A' ' 93' ' ' GLU . 9.7 tt -132.28 121.53 23.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.5 t -88.63 153.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.368 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.87 128.29 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.568 1.168 . . . . 0.0 110.312 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.0 6.89 61.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.5 -170.08 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.12 -160.57 35.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.629 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.1 pt-20 -141.12 138.25 33.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -132.39 166.84 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -101.54 128.85 47.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.28 158.49 52.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.85 13.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -99.16 3.17 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -88.38 -68.67 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.4 pp -97.0 160.58 14.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.613 1.195 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.53 168.36 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.657 HD12 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -77.79 125.94 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.85 97.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.573 0.225 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 tp -160.03 125.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.232 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.55 108.93 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.19 138.71 81.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 95.49 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.78 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -50.62 -48.96 57.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD23 HG23 ' A' ' 29' ' ' ILE . 5.1 tt -172.78 87.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.9 pt -83.34 138.02 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.387 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.485 HG23 HD23 ' A' ' 27' ' ' LEU . 2.3 pp -133.35 136.75 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.9 m -115.48 121.03 41.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.296 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -67.44 -179.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.603 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.21 134.02 53.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.562 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 25.2 t -111.3 134.67 52.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 144.68 26.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.176 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.21 -46.45 1.17 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.845 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -41.29 158.77 0.18 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.551 0.795 . . . . 0.0 109.301 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' HG23 ' A' ' 70' ' ' VAL . 18.0 Cg_endo -75.06 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.658 ' O ' HD11 ' A' ' 69' ' ' LEU . 16.8 m -133.12 177.4 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -93.98 170.97 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 mm -77.03 141.54 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.09 10.66 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.99 141.84 42.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -95.07 113.71 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.735 HG12 HD12 ' A' ' 103' ' ' LEU . 26.9 m -115.65 171.89 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -125.58 115.84 20.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 59' ' ' PHE . 21.0 m -67.14 125.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.628 1.205 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.19 129.94 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.787 . . . . 0.0 111.071 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 150.0 9.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.9 t -115.08 98.61 6.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.09 -40.49 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -175.07 3.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.69 -76.46 0.68 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 t -73.62 132.34 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -153.5 158.45 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m -104.4 121.56 43.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.177 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.57 -28.78 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -76.64 -27.02 55.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.207 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 46' ' ' VAL . 23.7 m-85 -99.23 17.53 19.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 70.56 48.09 38.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -98.22 -176.08 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 m -147.37 122.85 10.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.4 -173.76 16.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.409 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -113.58 154.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.578 HG21 HG21 ' A' ' 38' ' ' VAL . 74.8 t -84.04 105.58 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.8 -36.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -128.3 147.99 17.65 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.92 HD23 ' N ' ' A' ' 70' ' ' VAL . 6.3 tt -113.66 163.21 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 0.803 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.92 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -96.05 104.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.855 ' CE2' HD22 ' A' ' 69' ' ' LEU . 12.4 m-85 -134.83 169.17 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.06 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -42.4 106.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.34 114.99 49.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -164.2 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.58 -3.03 38.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.4 t -127.36 9.59 6.67 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.76 153.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.619 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.23 154.46 12.81 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.93 -59.41 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.041 -0.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.24 -28.62 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -123.4 156.12 64.37 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.356 1.035 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.6 tp -111.53 174.97 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.4 144.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.382 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -133.19 136.22 45.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.423 HG11 HG13 ' A' ' 46' ' ' VAL . 2.7 t -113.26 122.35 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.2 tt -108.31 124.73 50.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.58 HG21 ' HG2' ' A' ' 62' ' ' GLN . 49.1 t -88.03 151.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 130.29 41.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.247 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.96 5.86 54.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -169.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.16 -155.05 31.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.743 ' HB3' HD12 ' A' ' 87' ' ' LEU . 2.2 pt-20 -139.67 150.06 44.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.226 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.46 ' C ' HD22 ' A' ' 95' ' ' LEU . 3.7 t70 -145.88 167.03 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -101.15 130.57 47.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.486 ' CZ ' HG11 ' A' ' 46' ' ' VAL . 67.0 m-85 -125.61 162.81 24.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.417 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 4.7 m-85 -89.3 159.42 44.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -20.66 16.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.957 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -99.66 -4.9 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.417 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 4.2 mm-40 -83.68 -61.43 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.503 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.3 pp -97.09 170.5 9.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -136.04 167.5 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.213 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.735 HD12 HG12 ' A' ' 44' ' ' VAL . 8.0 tp -77.58 131.84 38.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 152.37 3.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -54.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.552 1.817 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.591 0.234 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.716 HD13 ' N ' ' A' ' 23' ' ' GLN . 0.2 OUTLIER -174.54 124.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.716 ' N ' HD13 ' A' ' 22' ' ' ILE . 2.0 mm-40 -147.17 113.75 6.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -89.29 122.4 68.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.395 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 104.17 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -112.3 -44.14 3.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.421 1.075 . . . . 0.0 109.985 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.53 112.95 10.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.233 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pp -102.28 128.07 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -106.11 130.25 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.61 132.31 54.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 108.335 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -96.01 175.09 6.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.562 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.15 152.49 20.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.558 1.161 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.588 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 49.7 t -129.47 143.58 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.81 115.31 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.84 64.59 0.32 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.411 1.07 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.833 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -145.37 158.93 50.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.42 0.717 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.478 1.778 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.667 HG21 HG21 ' A' ' 66' ' ' VAL . 21.7 m -125.64 177.55 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.683 1.24 . . . . 0.0 109.246 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 6.9 tmm_? -105.65 157.37 17.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.367 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 mm -63.72 132.5 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.37 2.9 81.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.376 1.047 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -67.88 141.56 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.3 OUTLIER -93.22 120.4 33.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.513 ' HB ' HD13 ' A' ' 101' ' ' LEU . 33.8 m -115.66 171.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -128.7 116.17 19.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' CG2' HG11 ' A' ' 86' ' ' VAL . 59.2 t -67.84 127.52 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.713 HG23 HD11 ' A' ' 55' ' ' ILE . 2.3 m -55.36 160.33 3.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.15 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.44 1.758 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -112.85 148.22 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.594 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 55' ' ' ILE . 29.9 t -47.7 146.55 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.84 -26.43 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.072 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.6 OUTLIER -130.43 -49.1 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.74 -64.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.22 133.61 56.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 0.744 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.713 HD11 HG23 ' A' ' 47' ' ' VAL . 4.4 tp -171.77 164.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -139.49 118.6 12.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.26 -15.85 63.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -79.53 -40.29 29.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.237 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -94.01 17.62 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.64 102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.88 36.8 61.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.544 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -101.06 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.234 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 43' ' ' LYS . 4.6 m -127.75 126.19 41.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.358 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.57 -158.74 7.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -135.46 153.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.667 HG21 HG21 ' A' ' 38' ' ' VAL . 40.1 t -82.4 140.5 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.427 ' CG2' ' CG ' ' A' ' 85' ' ' GLN . 41.3 t -88.79 -47.67 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.54 -133.77 4.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.424 1.078 . . . . 0.0 110.976 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.833 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -167.95 163.28 13.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.062 HG12 ' HA ' ' A' ' 83' ' ' LEU . 9.0 m -99.97 102.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.668 ' CD2' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -137.71 169.92 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -41.75 106.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.02 114.87 20.16 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.434 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -164.19 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.49 -5.09 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.588 ' O ' HG22 ' A' ' 76' ' ' THR . 5.4 m -127.2 14.8 7.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.195 . . . . 0.0 110.429 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER 60.0 147.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.86 153.78 11.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.564 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.09 -59.31 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.986 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.34 -28.1 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.91 169.08 14.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.605 1.845 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.062 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.3 pt? -131.75 176.56 8.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.537 HG22 HG11 ' A' ' 66' ' ' VAL . 1.1 pt -74.25 144.82 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.384 1.052 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.427 ' CG ' ' CG2' ' A' ' 67' ' ' VAL . 4.7 pt20 -132.99 127.58 34.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 96' ' ' PHE . 2.9 t -96.93 133.15 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.7 tt -124.54 121.95 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.544 HG21 ' HG2' ' A' ' 62' ' ' GLN . 24.9 t -93.41 150.21 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.085 . . . . 0.0 109.337 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.91 130.29 41.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.69 61.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.8 -165.33 1.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 0.75 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.0 -164.66 30.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -133.88 138.36 45.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 0.714 . . . . 0.0 110.305 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.8 t70 -135.23 166.67 22.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.51 127.77 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CE1' ' HB ' ' A' ' 86' ' ' VAL . 68.7 m-85 -123.84 160.82 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.14 159.24 48.44 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.25 18.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.63 -1.74 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 52' ' ' ASP . 4.8 mm-40 -83.26 -69.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.225 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.513 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.0 pp -96.99 168.18 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.22 164.74 15.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 110.223 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.49 131.08 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.26 152.24 39.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.468 0.175 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 22' ' ' ILE . 2.3 tp -122.84 42.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.191 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -104.52 -58.47 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 136.84 52.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.368 1.042 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.72 5.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.532 ' O ' HD12 ' A' ' 27' ' ' LEU . 82.5 p -71.27 -24.48 62.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.941 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -153.79 158.96 41.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.231 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -114.36 138.22 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 pp -86.12 145.1 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -147.02 161.53 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 108.337 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -152.78 166.36 32.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -78.15 147.79 34.4 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.591 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 47.3 t -120.45 156.8 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.68 129.34 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.591 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.31 87.11 1.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.572 1.17 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.89 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -164.14 158.88 16.34 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -74.99 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 66' ' ' VAL . 25.5 m -124.1 177.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -111.46 154.8 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.439 1.087 . . . . 0.0 110.246 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.6 mm -60.92 133.67 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.064 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.17 82.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -71.97 133.03 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.45 ' HD3' HD11 ' A' ' 65' ' ' ILE . 2.9 ttpt -92.98 114.07 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.905 HG12 HD12 ' A' ' 103' ' ' LEU . 34.7 m -108.03 171.31 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -122.55 113.94 19.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CG2' HG11 ' A' ' 86' ' ' VAL . 42.9 t -66.64 123.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.05 157.4 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.546 1.814 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -106.31 148.63 27.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.482 ' HB2' HG21 ' A' ' 55' ' ' ILE . 26.6 t -53.44 145.03 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.915 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.21 -34.44 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.03 -60.76 1.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.389 1.056 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.52 -63.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.6 t -61.85 138.76 58.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 50' ' ' SER . 8.3 tp -171.44 156.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.3 t -129.03 121.38 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -64.98 -19.54 66.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -71.49 -47.92 52.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -88.42 18.33 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.49 99.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.65 24.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -109.49 163.11 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.363 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.4 m -125.34 126.42 45.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.408 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -140.95 -174.36 14.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.45 HD11 ' HD3' ' A' ' 43' ' ' LYS . 1.6 mt -118.81 160.47 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 38' ' ' VAL . 45.0 t -85.21 139.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.36 -43.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.51 -131.19 3.23 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.89 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -169.7 173.21 6.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 0.746 . . . . 0.0 109.237 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.002 HG12 ' HA ' ' A' ' 83' ' ' LEU . 24.3 m -110.06 103.16 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.775 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.5 m-85 -136.92 169.86 17.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 111.05 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 106.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.81 114.47 32.73 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.403 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.09 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.51 -0.53 42.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -128.36 7.94 5.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.564 1.165 . . . . 0.0 110.465 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 61.7 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -155.76 154.53 28.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.588 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.07 -60.88 0.06 OUTLIER 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.022 0.059 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.39 -28.44 5.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.426 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 12.6 m-20 -122.95 160.81 47.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.002 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 pt? -121.96 175.63 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.728 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -75.66 144.83 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.386 1.054 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.426 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 5.7 pt20 -137.17 138.42 40.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.406 1.066 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -105.93 139.49 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 93' ' ' GLU . 9.3 tt -127.61 129.41 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.622 1.201 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.462 HG11 HD13 ' A' ' 91' ' ' LEU . 32.5 t -99.42 149.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.32 124.16 23.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.244 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.76 -6.43 65.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.462 HD13 HG11 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -108.34 -165.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.744 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -148.44 23.92 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.8 pt-20 -143.24 150.06 38.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.752 ' C ' HD13 ' A' ' 95' ' ' LEU . 3.3 t70 -148.08 166.96 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.793 ' N ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -106.26 134.9 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.562 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 92.0 m-85 -130.72 170.33 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.95 159.46 29.33 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -16.8 19.87 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.76 -4.33 30.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.28 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.98 -65.76 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.35 1.031 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.525 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.8 pp -96.69 169.25 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -123.73 168.41 12.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.905 HD12 HG12 ' A' ' 44' ' ' VAL . 7.8 tp -77.36 124.01 27.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.89 146.32 5.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.491 0.186 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 tp -79.48 137.9 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.83 172.9 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -61.67 142.85 94.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.94 -3.8 14.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.041 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' LEU . 40.9 t -38.75 -44.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -39.13 -57.35 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 25' ' ' PRO . 2.6 pt -99.24 150.7 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.8 mm -116.78 143.0 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.581 1.176 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.1 p -112.06 148.6 33.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.91 179.85 5.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 158.88 24.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.589 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 26.2 t -133.09 144.48 36.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -64.31 133.41 52.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 91.6 89.69 1.42 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.902 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -164.94 159.33 14.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.437 0.728 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.6 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 1.022 HG21 HG21 ' A' ' 66' ' ' VAL . 28.6 m -128.0 177.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -108.55 153.39 23.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.422 HD11 ' HB2' ' A' ' 69' ' ' LEU . 44.1 mm -61.24 133.66 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.93 8.55 84.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -80.76 137.6 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.8 ttpt -94.4 112.73 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.605 HG11 HG11 ' A' ' 38' ' ' VAL . 27.1 m -103.84 171.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -123.22 113.64 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.29 117.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 m -54.99 160.57 2.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -117.48 140.7 49.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.612 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.403 ' HA ' ' OE2' ' A' ' 100' ' ' GLU . 4.5 t -86.34 156.24 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.14 6.46 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -123.58 -82.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.04 -55.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.15 136.85 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.769 . . . . 0.0 110.458 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 55' ' ' ILE . 7.3 tp -171.43 164.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 m -141.49 114.66 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.947 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.02 -12.61 61.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.48 -36.3 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -97.86 18.58 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.64 90.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.45 8.32 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.396 1.06 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.772 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -101.9 178.56 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.422 HG22 ' HG2' ' A' ' 43' ' ' LYS . 13.6 m -150.27 111.85 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.08 -173.27 13.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -117.87 149.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 1.022 HG21 HG21 ' A' ' 38' ' ' VAL . 23.9 t -77.93 126.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -71.98 -45.66 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.84 -124.83 2.82 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.902 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -170.84 177.88 3.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -113.27 102.05 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.22 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.69 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -137.97 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 111.092 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.13 106.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.85 114.42 32.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.2 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -167.13 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.567 1.825 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.67 -3.91 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.9 t -127.0 12.14 7.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.04 152.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.9 153.8 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.575 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -56.56 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.232 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.001 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -27.71 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' CG ' ' OE1' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -128.18 164.15 39.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -34.12 4.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.6 1.842 . . . . 0.0 110.981 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.642 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -129.73 176.02 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.32 144.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.642 ' HB3' HD12 ' A' ' 95' ' ' LEU . 2.9 pt20 -135.74 131.36 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.497 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -104.04 143.28 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.2 tt -132.84 128.56 36.96 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.632 1.208 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.772 HG21 ' HG2' ' A' ' 62' ' ' GLN . 27.0 t -97.19 151.29 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 123.01 21.17 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 -9.81 59.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.148 . . . . 0.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 -168.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 -160.97 32.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.604 ' HB3' HD12 ' A' ' 87' ' ' LEU . 1.8 pt-20 -136.92 144.28 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 0.817 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.469 ' C ' HD13 ' A' ' 95' ' ' LEU . 13.2 t70 -141.27 166.62 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -101.48 133.73 45.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.497 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 96.7 m-85 -124.83 170.46 11.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.401 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 1.6 m-85 -97.19 159.27 31.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.85 -23.84 13.76 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.457 1.767 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.58 4.36 45.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' OE2' ' HA ' ' A' ' 50' ' ' SER . 15.8 mm-40 -89.99 -66.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -125.09 168.5 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.78 120.66 23.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -64.57 143.44 98.61 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 110.235 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.7 ptm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.539 0.209 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 tp -141.68 139.81 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -139.78 157.14 46.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -128.62 130.84 23.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 122.0 6.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.7 p -95.38 -50.29 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -154.88 171.57 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.0 mt -105.7 119.06 54.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.2 mt -88.1 150.74 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.31 159.5 28.7 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.54 1.15 . . . . 0.0 108.315 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -125.98 162.89 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.184 . . . . 0.0 109.65 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.2 165.87 22.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.596 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 35.9 t -132.66 142.25 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.87 122.09 15.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.62 88.01 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.882 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.34 158.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 17.8 Cg_endo -75.08 -44.88 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 66' ' ' VAL . 30.3 m -121.59 176.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -110.69 138.59 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.724 HD11 ' HB2' ' A' ' 69' ' ' LEU . 27.5 mm -57.37 130.97 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.99 14.57 81.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.86 141.79 28.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 19.2 tttt -93.99 114.7 26.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 103' ' ' LEU . 35.3 m -108.44 171.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -121.76 116.39 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.14 119.14 14.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 47' ' ' VAL . 1.7 m -55.73 160.48 4.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.97 136.87 52.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.773 ' CB ' HD13 ' A' ' 55' ' ' ILE . 29.7 t -107.61 176.58 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -41.08 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 179.61 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.88 -36.18 61.37 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -67.23 131.96 46.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 110.426 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.773 HD13 ' CB ' ' A' ' 50' ' ' SER . 6.7 tp -171.49 164.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -145.85 114.32 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.056 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -75.18 -17.83 60.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -75.57 -18.26 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.517 ' CE1' HD22 ' A' ' 91' ' ' LEU . 24.1 m-85 -112.46 19.25 17.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.8 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.792 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -94.13 165.71 12.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.364 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -133.23 110.32 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.35 179.52 16.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.56 1.162 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 42' ' ' ALA . 2.0 mt -110.72 156.49 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 38' ' ' VAL . 56.1 t -85.8 126.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.43 -41.94 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.648 1.217 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.39 153.91 22.19 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.882 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -100.71 -179.38 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.063 HG13 HG23 ' A' ' 84' ' ' ILE . 9.9 m -112.92 103.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CE2' ' HB ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -136.64 169.26 18.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -42.33 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -76.44 114.3 36.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -0.84 23.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 14.5 t -129.31 7.12 5.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.426 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 8.2 mt-30 58.36 155.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.566 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -164.0 152.93 11.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.566 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.0 -57.76 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.899 -2.542 . . . . 0.0 110.987 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.19 -27.74 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.38 172.1 7.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.597 1.186 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.85 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 tp -107.03 176.02 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.063 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -74.73 145.86 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CB ' HD22 ' A' ' 95' ' ' LEU . 4.7 pt20 -136.93 138.75 40.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.83 147.02 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tt -131.39 117.27 18.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.792 HG21 ' HG2' ' A' ' 62' ' ' GLN . 39.5 t -86.04 150.87 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.72 132.63 47.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.56 17.1 59.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.517 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -129.85 -165.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -155.59 30.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.25 145.75 34.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.361 0.683 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 95' ' ' LEU . 14.6 t70 -142.24 166.89 23.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -101.61 136.75 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.209 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -133.83 170.41 15.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 5.9 m-85 -95.57 158.82 33.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.12 -22.43 14.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.39 0.93 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 18.4 mt-10 -88.79 -62.23 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 101' ' ' LEU . 2.7 pp -98.25 158.41 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -112.12 167.57 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.23 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 44' ' ' VAL . 4.7 tp -77.47 132.13 38.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -68.96 154.37 95.08 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.42 0.152 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -72.31 123.1 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -96.04 -49.87 5.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.363 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.89 147.44 33.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.88 33.31 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.45 1.763 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -82.7 -46.27 13.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 110.062 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -82.77 103.72 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.353 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 pt -128.28 140.48 49.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -136.8 125.73 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 79' ' ' PRO . 0.8 OUTLIER -111.64 149.87 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.073 . . . . 0.0 108.373 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -113.5 171.46 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.353 1.033 . . . . 0.0 109.591 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.05 119.62 39.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 21.9 t -97.3 147.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.65 132.44 52.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.43 89.6 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.831 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.94 159.04 12.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.732 HG21 HG21 ' A' ' 66' ' ' VAL . 16.5 m -128.56 177.03 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 157.29 18.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.2 mm -64.92 130.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.85 11.03 83.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -79.82 138.78 37.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -94.58 113.92 25.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.696 HG12 HD12 ' A' ' 103' ' ' LEU . 17.5 m -112.7 172.12 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -122.49 124.91 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.236 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.03 124.22 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.563 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.7 p -65.81 115.27 21.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -17.29 19.58 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.77 147.14 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -115.84 102.46 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -112.99 -36.27 5.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.89 -54.31 14.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.18 -68.84 0.29 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.509 1.131 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -86.22 132.22 34.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -145.99 160.89 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.435 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 16.5 p -85.59 138.48 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.54 ' HA ' HD12 ' A' ' 60' ' ' LEU . 71.9 tp60 -93.13 -29.87 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.515 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.0 OUTLIER -77.02 -50.76 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -81.92 7.37 13.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -52.39 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.09 46.61 6.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.515 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -114.46 -172.23 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.299 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 128.69 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.68 -163.24 9.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -130.2 150.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.409 0.711 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.732 HG21 HG21 ' A' ' 38' ' ' VAL . 21.6 t -81.77 122.66 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -75.62 -51.93 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.466 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -114.97 -133.47 5.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.831 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -169.89 177.37 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.003 HG12 ' HA ' ' A' ' 83' ' ' LEU . 3.4 m -111.2 103.36 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -137.05 168.29 19.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 138.61 17.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -100.02 111.18 61.61 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.51 -58.24 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 1.9 m -133.26 -40.87 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.41 ' NE2' ' HD3' ' A' ' 82' ' ' PRO . 6.9 pt20 167.17 -179.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.392 1.057 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -161.94 154.54 16.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.376 1.047 . . . . 0.0 110.981 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.86 -54.25 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.067 -2.472 . . . . 0.0 111.039 -0.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.55 -27.59 8.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.351 1.032 . . . . 0.0 109.313 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -122.2 161.55 42.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.342 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.41 ' HD3' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.94 -44.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 1.003 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 pt? -113.16 176.16 5.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.228 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.839 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -74.15 145.51 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.433 ' HB3' HD23 ' A' ' 95' ' ' LEU . 8.3 pt20 -131.71 130.97 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.24 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.9 t -104.18 134.63 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.1 tt -124.33 122.84 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 56.3 t -90.65 150.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.27 119.88 16.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.56 -11.78 60.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -165.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 0.81 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.4 -155.69 31.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.61 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.7 pt-20 -142.69 132.72 24.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.35 166.2 21.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.661 HD13 HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -102.36 126.58 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.477 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 98.7 m-85 -118.05 170.11 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -99.34 158.27 32.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.49 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.04 -7.08 27.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.563 ' O ' HG11 ' A' ' 47' ' ' VAL . 6.0 mt-10 -85.35 -66.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 101' ' ' LEU . 2.2 pp -97.23 167.63 10.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.98 168.2 15.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HG12 ' A' ' 44' ' ' VAL . 11.3 tp -78.59 131.68 36.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . . . -85.07 146.79 46.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.02 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.468 0.175 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.684 ' O ' ' C ' ' A' ' 23' ' ' GLN . 7.8 tp -95.96 153.7 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.684 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -4.28 85.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.224 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -113.4 155.19 45.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -11.71 21.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.462 1.77 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' LEU . 93.3 p -52.26 -30.48 27.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -39.98 106.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.94 133.86 29.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.235 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -126.86 137.0 59.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.57 139.0 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 108.355 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.72 179.56 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.555 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.15 137.58 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 89.8 t -106.47 141.37 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.41 119.2 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.43 65.68 0.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.547 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -143.7 160.34 50.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HG3' ' CG2' ' A' ' 70' ' ' VAL . 18.1 Cg_endo -75.04 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG21 HG21 ' A' ' 66' ' ' VAL . 14.7 m -133.8 175.27 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.69 168.79 10.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mm -75.17 141.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.85 6.89 53.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -75.39 139.87 42.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HE2' ' CG2' ' A' ' 63' ' ' THR . 14.8 tttt -93.49 117.0 29.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' A' ' 103' ' ' LEU . 31.3 m -116.24 171.74 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -118.11 122.2 42.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.183 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.48 123.05 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.385 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.38 125.51 79.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.59 1.837 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.03 149.15 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -111.15 93.89 4.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -102.89 -44.47 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.06 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.88 -83.35 0.1 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -67.85 132.58 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -146.18 161.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.417 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 24.7 t -110.48 119.08 38.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.413 1.071 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.66 -10.8 60.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -83.86 -51.93 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' CE1' HD22 ' A' ' 91' ' ' LEU . 47.6 m-85 -81.7 7.21 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.47 108.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.19 36.53 71.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.09 171.45 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.465 ' CG2' ' HE2' ' A' ' 43' ' ' LYS . 2.2 m -133.51 131.35 39.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.2 -172.11 13.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -121.62 151.91 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 68' ' ' GLY . 27.0 t -86.2 118.73 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -47.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.6 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -118.77 -138.12 5.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.984 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.4 tt -169.96 162.73 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.984 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.6 m -93.89 104.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.825 ' CE2' HD22 ' A' ' 69' ' ' LEU . 6.9 m-85 -135.04 169.33 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.6 106.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -75.0 113.98 30.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.475 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.89 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.821 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.43 -30.46 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 76' ' ' THR . 43.4 m -101.66 12.98 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' THR . 5.6 tp-100 58.91 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.36 1.037 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.73 154.14 11.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -60.35 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.934 -2.528 . . . . 0.0 111.009 -0.094 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.39 -29.06 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.01 157.0 53.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.01 4.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.759 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -129.47 176.88 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.393 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.687 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.25 144.16 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.413 ' NE2' ' OE2' ' A' ' 93' ' ' GLU . 18.3 pt20 -137.21 129.54 29.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.446 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -96.84 147.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.3 tt -137.9 116.04 11.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' HD23 ' A' ' 87' ' ' LEU . 77.9 t -84.36 151.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.374 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 122.5 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.45 -5.69 63.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.436 1.085 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -104.6 -164.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.234 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.08 -158.71 30.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.617 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.0 pt-20 -135.95 136.57 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -136.48 165.32 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -104.19 126.06 50.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.624 1.202 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.446 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 97.8 m-85 -120.68 170.39 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.48 158.32 34.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.8 20.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.522 1.801 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.26 -9.14 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.4 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.6 pp -96.95 160.77 14.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.91 168.4 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.223 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.48 ' HA ' HG12 ' A' ' 44' ' ' VAL . 6.7 tp -77.28 133.79 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.4 148.71 83.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -54.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.559 0.219 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -169.15 141.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -151.35 110.17 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -122.53 86.47 48.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.223 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 156.75 42.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.721 ' O ' ' C ' ' A' ' 27' ' ' LEU . 69.1 m -91.55 -55.28 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.056 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.721 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 1.64 80.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' SER . 6.6 pt -77.78 146.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mt -130.7 150.79 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.5 p -119.05 148.13 43.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -94.01 179.7 5.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.569 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 39' ' ' ARG . 1.5 t0 -63.94 133.21 52.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.811 HG13 ' HB2' ' A' ' 36' ' ' ALA . 7.5 p -79.33 138.1 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -87.76 119.5 28.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.15 6.83 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.811 ' HB2' HG13 ' A' ' 33' ' ' VAL . . . -47.69 174.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.772 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.96 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 84' ' ' ILE . 34.1 m -127.21 177.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.803 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -112.22 170.33 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 69' ' ' LEU . 14.4 mm -81.1 126.3 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG2' ' A' ' 65' ' ' ILE . . . 71.75 6.57 63.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . . . -72.25 141.35 48.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.41 119.19 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 103' ' ' LEU . 16.1 m -119.3 171.95 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -120.62 119.88 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' CG2' HG11 ' A' ' 86' ' ' VAL . 81.5 t -67.02 120.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.2 p -60.95 127.61 87.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.71 150.71 48.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -121.53 100.3 6.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.28 -43.68 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -64.19 1.02 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.92 -83.86 0.09 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.6 t -70.5 137.04 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.435 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.31 157.1 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HG ' ' HD2' ' A' ' 59' ' ' PHE . 8.5 t -102.61 110.7 22.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -18.69 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.2 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -76.22 -48.05 21.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HD2' ' HG ' ' A' ' 56' ' ' SER . 51.9 m-85 -86.67 10.85 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tp -54.3 100.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.25 24.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.593 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.6 OUTLIER -106.71 -178.53 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -148.15 123.18 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.58 -161.51 9.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.1 mt -129.9 153.87 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 68' ' ' GLY . 22.0 t -80.75 126.89 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.431 HG23 ' HG3' ' A' ' 85' ' ' GLN . 53.5 t -76.03 -41.93 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -133.87 -138.89 4.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.513 1.133 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.772 HD21 ' HB1' ' A' ' 36' ' ' ALA . 4.3 tt -162.05 152.38 17.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.339 0.67 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.909 HG12 ' HA ' ' A' ' 83' ' ' LEU . 6.0 m -80.91 102.74 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.458 ' HE2' HG21 ' A' ' 33' ' ' VAL . 1.4 t80 -136.33 160.26 39.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.77 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.2 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 114.25 38.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.42 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.1 Cg_endo -75.02 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.33 -4.45 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -120.64 -6.21 9.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.42 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 3.9 tt0 69.27 146.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -161.58 153.88 16.68 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.173 . . . . 0.0 110.995 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.94 -57.9 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.961 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.1 -28.38 6.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.03 167.48 22.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -32.47 5.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.909 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 pt? -129.89 176.48 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.861 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -74.93 145.19 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.431 ' HG3' HG23 ' A' ' 67' ' ' VAL . 25.1 pt20 -132.48 132.77 43.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.5 t -99.61 136.05 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.1 tt -127.44 117.63 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.593 HG21 ' HG2' ' A' ' 62' ' ' GLN . 35.5 t -89.16 151.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.24 125.86 28.07 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.47 63.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.411 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -109.68 -166.27 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 -152.48 28.59 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.1 pt-20 -140.52 144.54 36.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.539 ' OD1' ' CZ ' ' A' ' 96' ' ' PHE . 1.9 t70 -143.58 163.65 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.664 HD13 HD21 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -103.33 128.49 50.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.539 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.9 m-85 -122.34 165.68 15.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.2 158.36 49.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.47 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.0 -23.28 13.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -98.21 -0.54 43.94 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.552 ' O ' HG11 ' A' ' 47' ' ' VAL . 2.1 mm-40 -85.23 -65.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.528 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.7 pp -97.09 167.79 10.84 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -125.0 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.467 ' HA ' HG12 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -77.54 109.45 11.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.39 145.62 2.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.233 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.492 0.187 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.1 tp -147.3 147.21 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -132.23 115.92 16.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -121.51 82.26 39.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.04 34.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.4 t -111.24 -51.57 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.39 114.41 27.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 tp -80.64 148.88 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.221 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -140.6 159.54 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.239 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.25 172.97 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -144.1 175.78 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.6 137.68 34.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.576 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 58.3 t -107.17 134.81 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.12 130.12 42.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.13 -33.08 3.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.633 1.208 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.67 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -48.42 162.04 0.36 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.208 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.13 -51.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 110.992 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 66' ' ' VAL . 10.5 m -132.41 177.55 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.5 ttt-85 -102.75 158.8 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 38.2 mm -64.25 139.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.89 11.36 66.27 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.14 134.22 38.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 0.708 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CG ' HG12 ' A' ' 65' ' ' ILE . 1.1 ttmt -93.41 107.26 19.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.796 HG12 HD12 ' A' ' 103' ' ' LEU . 30.5 m -106.48 171.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 9.7 ttpt -119.35 119.81 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.415 ' CG2' HG11 ' A' ' 86' ' ' VAL . 77.3 t -65.88 122.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.381 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.511 ' O ' HD11 ' A' ' 55' ' ' ILE . 4.3 p -60.91 128.52 89.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -23.43 13.71 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.488 1.783 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -177.23 3.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 109.645 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 t -115.71 112.1 21.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.077 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -101.14 -43.92 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -93.42 -65.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.38 -62.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.8 t -59.19 149.82 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.388 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.511 HD11 ' O ' ' A' ' 47' ' ' VAL . 5.5 tp -166.07 164.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.2 m -143.91 112.15 6.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.42 -31.81 70.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -60.41 -42.19 95.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -95.04 20.05 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 60' ' ' LEU . 10.1 tt -62.5 112.54 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.374 1.046 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.47 92.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.677 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -98.29 -173.37 2.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.46 0.741 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.455 ' HG1' ' HG3' ' A' ' 45' ' ' LYS . 13.6 m -157.13 119.43 3.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.453 1.096 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.32 -173.22 12.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.462 HG12 ' CG ' ' A' ' 43' ' ' LYS . 1.6 mt -117.2 158.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.786 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 38' ' ' VAL . 39.6 t -89.07 110.63 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.39 -49.95 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.402 1.064 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.613 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -118.6 -132.85 4.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.949 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.2 tt -174.21 165.69 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.343 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.949 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.5 m -97.92 104.2 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.843 ' CE2' HD22 ' A' ' 69' ' ' LEU . 6.3 m-85 -135.42 168.73 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.355 1.035 . . . . 0.0 111.046 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.64 106.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.601 1.188 . . . . 0.0 109.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.88 113.96 32.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.437 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.86 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.27 -2.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.81 11.58 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.14 149.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.07 154.51 13.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -75.05 -59.12 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.012 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -118.83 -28.71 5.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.14 155.69 55.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.2 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.736 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.4 tp -126.89 175.84 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.677 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.94 144.35 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 85' ' ' GLN . 5.5 pt20 -137.84 136.3 37.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.415 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.4 t -107.79 134.73 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.207 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.0 tt -122.27 125.11 45.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.677 HG21 ' HG2' ' A' ' 62' ' ' GLN . 25.7 t -95.03 152.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 72.45 15.62 77.33 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.589 1.18 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.51 -166.07 1.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.99 -165.17 28.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.65 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.1 pt-20 -130.94 134.4 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 1.7 t70 -133.21 165.97 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 95' ' ' LEU . 6.6 mp -101.7 135.85 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.62 168.79 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.483 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 27.8 m-85 -90.63 159.55 40.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.08 14.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.39 -10.01 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.483 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 2.3 mm-40 -74.15 -64.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.3 pp -98.71 168.11 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -129.51 168.27 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.796 HD12 HG12 ' A' ' 44' ' ' VAL . 2.9 tp -77.58 120.33 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.63 153.89 9.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.709 ' O ' ' C ' ' A' ' 22' ' ' ILE . 2.0 mmt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.78 HG23 ' H ' ' A' ' 23' ' ' GLN . 0.8 OUTLIER -3.91 -96.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.78 ' H ' HG23 ' A' ' 22' ' ' ILE . 1.9 mt-30 -91.81 160.07 15.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.12 145.49 60.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 100.39 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.588 1.836 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.9 p -74.75 -44.07 51.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.019 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.24 120.53 15.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.6 pt -96.08 154.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.259 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mt -133.54 122.62 44.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.5 p -118.36 150.53 39.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.37 -179.72 8.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' CZ ' ' A' ' 39' ' ' ARG . 1.9 t0 -99.77 124.91 45.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 91.2 t -104.51 145.87 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.06 133.79 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.39 49.23 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.064 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.624 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . . . -129.37 163.01 49.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 17.9 Cg_endo -75.12 -56.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.892 HG21 HG21 ' A' ' 66' ' ' VAL . 15.4 m -126.03 177.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.393 1.058 . . . . 0.0 109.392 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -108.58 154.19 22.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.221 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 69' ' ' LEU . 34.4 mm -61.5 135.26 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.64 12.49 83.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -81.9 137.04 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.417 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -93.4 119.68 32.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.606 1.191 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.888 HG12 HD12 ' A' ' 103' ' ' LEU . 29.0 m -120.59 171.83 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -123.54 116.14 22.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.1 t -67.61 113.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.28 161.18 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.535 1.808 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -118.96 158.58 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.636 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.424 ' CB ' HG12 ' A' ' 55' ' ' ILE . 33.8 t -115.82 169.04 9.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.604 1.19 . . . . 0.0 110.015 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.57 -26.41 18.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.92 -84.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.67 -53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.59 1.181 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 t -59.23 134.39 56.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.431 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -156.91 163.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 55' ' ' ILE . 92.7 p -116.96 122.48 44.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -87.78 -19.72 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.96 -28.6 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CE1' HD22 ' A' ' 91' ' ' LEU . 56.5 m-85 -110.51 22.01 15.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -60.24 97.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.72 27.08 36.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.593 1.183 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.1 177.44 5.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -145.97 123.68 11.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.357 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.67 -172.57 13.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.4 mt -117.71 155.52 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.39 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.892 HG21 HG21 ' A' ' 38' ' ' VAL . 13.6 t -85.65 112.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.29 -31.28 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.554 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -135.26 144.26 16.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 1.032 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.0 tt -106.02 158.36 16.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.066 HG13 HG23 ' A' ' 84' ' ' ILE . 10.7 m -89.56 104.74 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.731 ' CD2' HD22 ' A' ' 69' ' ' LEU . 3.5 m-85 -134.72 169.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.43 106.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.214 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.54 117.86 69.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.53 -2.72 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -126.08 7.0 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 58.92 154.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -164.6 155.88 13.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.596 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -57.67 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 -0.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.87 -27.64 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD2' HD21 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -130.98 160.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.56 1.821 . . . . 0.0 111.014 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.851 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -106.11 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.066 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.4 145.03 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' HB3' HD23 ' A' ' 95' ' ' LEU . 20.0 pt20 -134.02 131.94 39.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.84 147.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -134.39 131.96 38.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.393 1.058 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.9 t -102.76 152.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 126.33 29.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.16 5.47 81.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.406 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -121.17 -166.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.412 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.31 -157.47 29.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.3 pt-20 -142.04 135.78 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.45 166.68 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' CB ' HD11 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -101.56 132.67 47.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.621 1.201 . . . . 0.0 109.335 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 83' ' ' LEU . 99.0 m-85 -126.88 170.56 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.485 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -92.19 160.02 36.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.941 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.09 -26.72 10.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 3.0 tp10 -96.53 -10.97 26.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' GLU . . . . . 0.485 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 6.4 mt-10 -70.13 -66.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.2 pp -97.37 156.99 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.49 168.46 9.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.888 HD12 HG12 ' A' ' 44' ' ' VAL . 8.9 tp -78.15 130.33 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.56 154.67 23.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.573 1.828 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.496 0.189 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.693 HD13 ' N ' ' A' ' 23' ' ' GLN . 0.2 OUTLIER -98.34 127.12 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.693 ' N ' HD13 ' A' ' 22' ' ' ILE . 4.4 mm-40 -54.05 124.98 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -50.96 145.88 11.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 94.5 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.524 1.802 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.699 ' O ' ' C ' ' A' ' 27' ' ' LEU . 68.7 m -74.27 -52.03 13.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.06 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.699 ' C ' ' O ' ' A' ' 26' ' ' SER . 13.6 tp -0.15 88.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.4 tt -134.14 154.22 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 tp -73.91 125.62 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.211 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.18 158.96 32.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.336 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.23 179.77 7.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.551 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.41 132.94 51.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.594 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 42.1 t -96.35 149.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.01 144.08 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 79.65 91.94 0.4 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.39 1.056 . . . . 0.0 111.019 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.783 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -166.26 160.5 12.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.95 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.909 HG12 ' CD1' ' A' ' 103' ' ' LEU . 19.5 m -122.59 177.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -112.96 160.57 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.42 132.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.95 13.83 80.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -81.12 137.28 35.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.45 ' HG3' HD11 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -93.36 107.43 19.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.397 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' HB ' HD13 ' A' ' 101' ' ' LEU . 33.8 m -106.95 170.02 2.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 119.29 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 122.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.615 HG22 ' H ' ' A' ' 49' ' ' HIS . 7.9 p -60.01 123.2 71.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' HIS . . . . . 0.615 ' H ' HG22 ' A' ' 47' ' ' VAL . 30.4 m170 -104.09 162.89 12.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.583 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.8 t -103.27 117.58 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -108.14 -42.41 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -87.33 -61.22 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.78 -72.78 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -73.74 132.36 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 0.837 . . . . 0.0 110.458 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -144.69 159.57 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.9 t -95.02 118.54 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.923 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -19.37 60.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -77.37 -41.38 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PHE . . . . . 0.458 ' CE1' HD22 ' A' ' 91' ' ' LEU . 46.0 m-85 -93.98 17.02 13.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.9 87.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 90.85 44.33 4.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.39 1.056 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -116.88 174.22 6.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 0.766 . . . . 0.0 110.363 179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.6 m -135.8 124.84 24.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 110.482 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.67 -177.61 15.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.059 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.45 HD11 ' HG3' ' A' ' 43' ' ' LYS . 1.5 mt -115.47 155.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.695 HG21 HG21 ' A' ' 38' ' ' VAL . 48.1 t -84.9 130.41 36.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.75 -44.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.23 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -123.81 -132.71 3.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.878 HD22 ' CD2' ' A' ' 71' ' ' PHE . 5.0 tt -170.54 172.4 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 83' ' ' LEU . 2.2 m -105.59 102.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.878 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -137.91 169.42 17.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.1 106.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.83 116.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -164.64 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -1.82 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.77 7.89 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.3 154.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.587 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -164.62 153.07 10.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.12 -56.86 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 0.047 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -115.62 -28.23 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.8 165.84 27.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -30.87 6.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.991 HD21 HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -127.38 176.25 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -74.05 145.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 1.4 pm0 -132.85 140.71 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.27 146.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.8 tt -136.45 116.23 13.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.39 153.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.36 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 133.91 49.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.6 11.05 40.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.458 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -123.38 -165.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.39 -161.07 29.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.6 pt-20 -136.75 136.55 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.545 ' C ' HD12 ' A' ' 95' ' ' LEU . 5.0 t70 -128.74 166.12 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.991 HD23 HD21 ' A' ' 83' ' ' LEU . 1.4 mp -101.53 130.2 47.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 84.1 m-85 -129.97 170.63 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -99.55 159.29 30.41 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PRO . . . . . 0.403 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -19.19 18.04 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.593 1.838 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.46 -0.88 39.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.68 -64.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.468 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.6 pp -97.15 165.71 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -124.72 168.58 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.909 ' CD1' HG12 ' A' ' 38' ' ' VAL . 2.1 mp -77.33 121.58 23.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . . . -54.75 145.75 39.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 -54.03 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.685 ' C ' ' O ' ' A' ' 105' ' ' PRO . 22.2 tt0 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.717 ' O ' ' C ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.529 0.204 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER 0.04 83.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' MET . 2.0 mt-30 -99.58 -177.44 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.243 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.12 132.81 23.42 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 176.47 9.88 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.581 1.832 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.704 ' O ' ' C ' ' A' ' 27' ' ' LEU . 2.9 p -54.7 -32.0 58.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.704 ' C ' ' O ' ' A' ' 26' ' ' SER . 30.5 tp 3.63 -110.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CG1' ' HG ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -135.9 116.38 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tt -126.47 135.61 63.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.7 m -147.3 125.05 11.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 108.301 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -101.02 175.27 5.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 1.133 . . . . 0.0 109.672 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.29 119.27 11.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 13.4 t -95.95 137.97 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 139.44 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.32 72.22 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.405 1.065 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -153.24 155.18 31.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.685 ' O ' HD11 ' A' ' 69' ' ' LEU . 3.6 m -136.96 177.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.389 1.055 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.9 175.44 6.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' A' ' 69' ' ' LEU . 43.2 mm -79.53 146.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.46 4.77 58.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -67.81 133.07 48.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 0.82 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' HD11 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -94.28 112.71 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' HB ' HD13 ' A' ' 101' ' ' LEU . 35.4 m -107.19 171.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 104' ' ' ALA . 4.4 ttpt -130.79 120.48 23.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -73.1 102.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.211 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.443 ' H ' HG22 ' A' ' 47' ' ' VAL . 2.6 m -70.85 160.83 80.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.429 1.752 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.78 117.12 3.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -104.98 101.64 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -44.94 5.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.92 167.37 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.69 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.586 1.179 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -114.38 135.3 54.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -131.45 161.93 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 57.4 m -90.42 120.89 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -75.97 -29.92 58.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -69.16 -57.74 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.196 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.29 -8.38 31.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.58 94.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.81 27.11 8.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -117.84 176.35 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 110.344 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 m -132.3 132.87 43.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.462 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -142.52 -170.83 12.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.2 mt -129.09 154.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 68' ' ' GLY . 20.9 t -81.23 111.11 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.45 -45.21 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -126.81 -129.82 3.31 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.948 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.3 tt -173.3 162.82 4.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 0.74 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 1.027 HG13 HG23 ' A' ' 84' ' ' ILE . 10.3 m -93.46 104.38 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.791 ' CE2' HD22 ' A' ' 69' ' ' LEU . 8.1 m-85 -135.37 169.12 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.42 106.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.01 120.28 79.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.5 Cg_endo -75.03 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.32 -3.05 34.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 t -126.91 8.09 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLN . . . . . 0.402 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 2.6 mt-30 58.88 154.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.49 155.83 13.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.594 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.94 -57.71 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.986 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.51 ' OD2' ' NE2' ' A' ' 85' ' ' GLN . 21.5 p-10 -114.58 -27.69 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.537 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 9.4 m-20 -131.35 158.94 73.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.19 16.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 95' ' ' LEU . 1.3 pt? -129.76 175.92 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 1.027 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.28 145.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLN . . . . . 0.564 ' CB ' HD23 ' A' ' 95' ' ' LEU . 4.4 pt20 -130.67 133.1 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.462 HG13 ' HA3' ' A' ' 64' ' ' GLY . 2.5 t -100.74 136.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 88' ' ' VAL . 7.1 tt -126.76 116.04 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.454 HG11 HD13 ' A' ' 91' ' ' LEU . 53.2 t -85.91 152.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -69.67 132.06 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.31 9.79 44.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -120.01 -165.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.2 -150.49 27.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -144.95 144.65 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -144.24 165.53 27.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.861 HD13 HD21 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -104.0 135.44 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PHE . . . . . 0.595 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 92.8 m-85 -131.11 170.25 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.0 159.13 35.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -23.92 13.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -99.46 1.85 44.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.16 -63.91 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.3 pp -96.82 160.12 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.25 168.58 11.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.488 HD11 ' CG1' ' A' ' 38' ' ' VAL . 1.4 mp -77.31 136.43 38.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 45' ' ' LYS . . . -75.73 150.9 84.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -54.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.6 t . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 132.02 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.07 59.08 1.0 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -138.16 162.68 52.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.91 -54.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.738 . . . . 0.0 111.005 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.832 HG21 HG21 ' A' ' 66' ' ' VAL . 27.3 m -132.61 177.51 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 7.4 ttt180 -103.7 152.54 21.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 69' ' ' LEU . 25.4 mm -63.54 138.42 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.78 6.41 89.07 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -85.49 137.31 32.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 0.731 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -94.22 119.84 33.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 86' ' ' VAL . 30.9 m -111.93 171.96 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -120.2 121.55 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.3 t -66.02 114.3 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.732 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.7 p -60.03 140.72 90.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.642 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.5 Cg_endo -74.95 -49.74 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.751 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 149.57 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -92.82 141.78 28.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 -41.41 5.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -90.54 -59.56 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.51 -41.14 0.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -88.25 132.49 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -151.93 162.95 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.437 ' N ' HG23 ' A' ' 55' ' ' ILE . 38.2 t -104.69 118.05 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -72.28 -28.91 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -68.99 -49.32 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.46 ' HD1' HG21 ' A' ' 88' ' ' VAL . 28.2 m-85 -78.29 -19.71 53.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER -50.18 93.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.068 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 108.49 40.65 1.59 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.444 ' HG2' HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -133.89 -177.38 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 m -149.28 115.4 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 1.157 . . . . 0.0 110.376 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.64 -176.17 14.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.4 mt -113.53 150.62 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.832 HG21 HG21 ' A' ' 38' ' ' VAL . 78.5 t -77.49 110.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.1 t -77.83 -35.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 84' ' ' ILE . . . -130.88 145.98 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.0 tt -111.25 153.08 26.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.057 HG13 HG23 ' A' ' 84' ' ' ILE . 5.3 m -82.65 105.07 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.217 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.862 ' CE2' HD22 ' A' ' 69' ' ' LEU . 19.9 m-85 -134.59 169.04 17.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.52 106.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.384 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.44 114.19 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.404 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.93 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.81 -3.42 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -127.18 11.05 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 59.99 148.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.611 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.08 154.09 12.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.7 Cg_endo -74.88 -57.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.042 -2.482 . . . . 0.0 111.041 -0.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -115.36 -28.08 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.44 160.07 69.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.186 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.07 7.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.796 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -123.39 176.02 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.057 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -75.12 144.9 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.78 134.35 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 t -105.57 133.22 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.043 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 88' ' ' VAL . 7.1 tt -117.71 119.77 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.558 ' O ' HD23 ' A' ' 87' ' ' LEU . 53.6 t -81.59 152.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.14 117.01 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.87 -9.07 60.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.527 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -102.79 -167.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.35 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.18 -159.81 34.25 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.2 pt-20 -135.27 138.14 43.22 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 0.771 . . . . 0.0 110.204 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -132.45 165.75 23.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -102.27 124.51 47.98 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.402 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.5 m-85 -121.06 166.68 13.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.98 158.02 35.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.131 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -15.39 21.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -99.2 -5.68 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 110.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.732 ' O ' HG11 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -87.53 -65.64 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.0 pp -97.19 163.67 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -127.01 168.23 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.413 HD12 HG12 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -77.49 120.66 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.29 150.93 7.83 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.37 1.044 . . . . 0.0 109.236 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 29.6 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 135.87 57.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.36 70.08 0.97 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.554 1.159 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -150.04 160.44 33.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.573 0.808 . . . . 0.0 109.214 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.1 Cg_endo -75.1 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.412 1.743 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' VAL . 31.2 m -121.05 177.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -107.96 144.23 35.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.7 mm -53.48 131.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.26 81.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -82.29 132.59 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.626 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -93.37 114.71 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HB ' HD13 ' A' ' 101' ' ' LEU . 16.3 m -108.42 172.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -119.34 114.07 21.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.43 126.03 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.598 HG23 HD11 ' A' ' 55' ' ' ILE . 1.7 m -55.47 161.08 3.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.468 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.0 Cg_endo -75.04 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -109.11 171.8 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.417 ' N ' HG12 ' A' ' 55' ' ' ILE . 45.6 t -62.99 138.6 58.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.86 8.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.35 -56.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.68 -68.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -60.73 133.9 56.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 0.0 110.311 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.598 HD11 HG23 ' A' ' 47' ' ' VAL . 5.2 tp -165.33 162.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.385 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.0 m -141.31 131.31 24.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -74.36 -19.69 60.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.374 1.046 . . . . 0.0 110.315 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 9.7 mtt180 -67.86 -48.74 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 110.254 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -89.54 21.83 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.0 tt -66.69 91.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.54 36.85 7.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -110.84 -176.28 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.626 HG22 ' CD ' ' A' ' 43' ' ' LYS . 36.6 m -147.9 122.84 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.402 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -136.63 -177.87 15.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.7 mt -115.01 157.06 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 38' ' ' VAL . 43.2 t -87.22 105.06 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.383 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.95 -30.46 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.455 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -135.01 136.86 8.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.966 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.7 tt -100.93 161.87 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.966 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.8 m -90.83 103.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.805 ' CE2' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -135.71 169.03 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -42.48 106.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.37 120.33 80.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.36 35.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 12.5 t -130.22 11.13 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' THR . 21.4 mt-30 59.55 150.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.72 155.75 13.07 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.939 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.578 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -74.99 -57.18 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.988 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.64 -27.71 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.5 166.94 25.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.879 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.2 tp -105.19 176.43 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.797 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -74.57 144.7 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.588 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.5 pt20 -137.03 128.31 28.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.402 HG13 ' HA3' ' A' ' 64' ' ' GLY . 2.6 t -96.17 139.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 88' ' ' VAL . 6.6 tt -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 91' ' ' LEU . 42.8 t -96.38 152.95 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.01 122.02 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.25 5.32 76.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -115.99 -166.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.352 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.54 -158.85 30.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.3 133.24 27.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 110.334 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.14 166.48 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 85' ' ' GLN . 0.3 OUTLIER -101.65 128.23 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -125.99 170.23 11.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -98.1 158.71 32.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.09 -17.02 19.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 -8.57 24.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -65.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.57 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.0 pp -97.03 154.72 17.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.205 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.97 168.22 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tt -82.43 124.45 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.65 154.67 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.58 1.832 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.325 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 95.0 t . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.68 144.36 18.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.93 -37.03 4.03 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.753 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -42.14 160.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.346 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -75.01 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 66' ' ' VAL . 25.1 m -124.4 177.41 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -110.67 141.86 43.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 69' ' ' LEU . 27.4 mm -53.54 138.69 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.35 22.6 75.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -98.39 133.54 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HE2' HG22 ' A' ' 63' ' ' THR . 13.2 tttt -93.55 117.0 29.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -113.96 171.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -117.8 117.21 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG2' HG11 ' A' ' 86' ' ' VAL . 97.4 t -67.62 114.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -55.29 160.73 3.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.506 1.793 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -117.62 130.35 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -71.43 165.39 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.06 -16.37 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.06 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.51 -53.49 0.07 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.426 HG22 ' OE2' ' A' ' 100' ' ' GLU . 12.0 t -58.91 139.02 57.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 55' ' ' ILE . 6.4 tp -169.03 165.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -139.66 117.91 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.588 1.18 . . . . 0.0 110.119 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -69.38 -7.86 41.31 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -48.02 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -89.53 13.99 12.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.41 94.33 0.06 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.1 8.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.585 1.178 . . . . 0.0 111.058 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.33 173.42 6.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.498 HG22 ' HE2' ' A' ' 43' ' ' LYS . 2.8 m -134.98 112.32 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.42 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -128.37 -179.57 15.97 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.9 mt -113.09 158.46 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 109.347 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 38' ' ' VAL . 60.6 t -85.19 114.17 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.1 t -79.14 -38.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.19 147.38 18.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.994 HD22 ' CE2' ' A' ' 71' ' ' PHE . 5.9 tt -108.69 158.28 17.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.237 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.073 HG13 HG23 ' A' ' 84' ' ' ILE . 13.0 m -90.03 105.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.994 ' CE2' HD22 ' A' ' 69' ' ' LEU . 31.9 m-85 -134.19 169.14 17.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.925 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.7 p-10 -42.43 106.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.97 113.49 18.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.419 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.87 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.91 -2.73 57.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.1 t -128.93 13.28 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.25 147.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.595 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -164.41 153.25 11.41 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 111.059 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.03 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.987 -0.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.11 -28.34 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 85' ' ' GLN . 1.6 m-20 -132.56 166.04 31.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.923 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.8 tp -109.61 175.79 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.073 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -75.59 145.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.443 ' NE2' ' OD2' ' A' ' 81' ' ' ASP . 1.4 pt20 -135.5 143.12 45.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 110.38 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.44 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.1 t -109.14 143.04 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 tt -132.89 120.89 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.5 t -91.37 151.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 121.15 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.66 -10.3 59.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -166.32 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.52 -147.28 21.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -140.38 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.264 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.701 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -101.83 133.27 46.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -133.04 170.43 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.077 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -97.76 158.92 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.06 -20.05 17.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.761 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 2.53 45.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.426 ' OE2' HG22 ' A' ' 54' ' ' THR . 9.2 mt-10 -93.96 -61.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.3 pp -97.03 159.28 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.38 168.49 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.21 126.04 30.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.04 153.77 64.46 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.259 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.51 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 49.9 t . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -53.47 131.12 37.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.99 83.05 1.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.61 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -159.29 155.88 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.368 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.578 ' O ' HD11 ' A' ' 69' ' ' LEU . 17.2 m -129.77 177.47 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.14 157.64 16.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.0 143.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.03 10.24 84.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.72 141.56 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 0.717 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -97.68 118.08 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.67 ' HB ' HD13 ' A' ' 101' ' ' LEU . 28.3 m -110.69 169.92 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -117.98 116.18 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.9 t -65.92 119.44 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.575 HG22 ' H ' ' A' ' 49' ' ' HIS . 13.2 p -62.5 121.45 67.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.641 1.213 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.88 17.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.575 ' H ' HG22 ' A' ' 47' ' ' VAL . 85.8 t60 -111.39 143.77 41.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -97.15 134.86 39.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -112.96 -45.14 3.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.43 -69.76 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.5 -51.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 t -65.75 134.07 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 110.429 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.431 HD13 ' H ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -166.25 161.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.431 ' H ' HD13 ' A' ' 55' ' ' ILE . 26.9 t -126.69 116.1 20.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.474 1.109 . . . . 0.0 109.937 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' LEU . 57.7 tt0 -60.35 -39.26 86.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -53.2 -49.58 66.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -89.13 19.35 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 57' ' ' GLN . 7.8 tp -54.72 99.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.57 48.95 67.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -179.76 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.783 . . . . 0.0 110.22 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.72 115.73 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.41 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -137.11 176.02 20.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.153 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 1.4 mm -103.22 156.94 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 38' ' ' VAL . 24.6 t -88.5 112.52 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.8 t -79.57 -32.72 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.494 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -130.9 146.05 17.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.1 tt -110.46 156.51 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.051 HG13 HG23 ' A' ' 84' ' ' ILE . 18.0 m -87.3 106.74 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.938 ' CE2' HD22 ' A' ' 69' ' ' LEU . 29.9 m-85 -134.39 169.09 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.45 106.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' A' ' 82' ' ' PRO . 1.2 m-20 -78.58 114.68 45.4 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -3.1 37.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.0 t -126.91 9.15 6.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.592 1.182 . . . . 0.0 110.354 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 59.3 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.52 154.17 12.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.563 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.96 -57.85 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.014 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.39 -27.95 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.216 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -130.4 156.47 79.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.206 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 73' ' ' ASP . 18.2 Cg_endo -74.94 -19.02 18.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.813 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.5 pt? -131.03 175.8 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.051 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.48 144.82 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 8.1 pt20 -130.87 133.73 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 44' ' ' VAL . 2.2 t -105.01 147.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.9 tt -134.81 118.35 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.39 150.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.12 130.27 42.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.78 1.92 59.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.614 1.196 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.56 -165.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.78 -153.16 28.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.534 ' HB3' HD12 ' A' ' 87' ' ' LEU . 4.7 pt-20 -140.91 136.94 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -134.81 164.63 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.24 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.432 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.38 127.22 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 91.4 m-85 -124.23 170.35 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -96.03 158.26 34.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.72 19.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.11 -6.92 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.28 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.97 -62.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.67 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.5 pp -97.22 167.78 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -128.26 168.31 15.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.535 HD12 HG12 ' A' ' 44' ' ' VAL . 6.8 tp -77.54 131.42 37.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.32 154.4 84.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.2 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 46.8 t . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.44 131.33 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.598 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 95.69 90.04 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.567 1.167 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.946 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -166.24 162.28 12.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -75.06 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.39 1.731 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.951 HG21 HG21 ' A' ' 66' ' ' VAL . 15.7 m -130.06 177.3 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.382 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -109.77 140.99 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 69' ' ' LEU . 28.2 mm -55.63 132.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.61 17.89 79.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -92.66 143.94 25.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.56 116.04 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.768 HG12 HD12 ' A' ' 103' ' ' LEU . 31.4 m -114.87 171.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.442 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 17.1 ttpt -120.73 119.63 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG2' HG11 ' A' ' 86' ' ' VAL . 53.7 t -67.14 117.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.386 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.425 ' H ' HG12 ' A' ' 47' ' ' VAL . 1.5 p -55.36 128.82 68.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.98 -46.32 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.04 144.01 30.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -112.07 90.22 3.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.72 -42.31 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -176.59 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.12 -67.86 1.74 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.85 142.48 53.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 55' ' ' ILE . 3.1 tp -165.67 166.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -145.8 114.93 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -75.96 -13.72 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.275 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.752 ' HG2' HD21 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -81.55 -29.98 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -103.5 13.32 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 48' ' ' PRO . 4.8 tp -60.03 116.1 3.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.08 32.37 83.94 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.411 ' C ' ' HG1' ' A' ' 63' ' ' THR . 0.4 OUTLIER -99.62 -171.49 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.493 ' HG1' ' HG3' ' A' ' 45' ' ' LYS . 9.1 m -156.52 120.11 4.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.505 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.76 -165.46 10.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.2 mt -124.21 151.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.951 HG21 HG21 ' A' ' 38' ' ' VAL . 40.4 t -80.66 113.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.57 -39.36 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -137.29 151.22 21.02 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.946 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -98.82 176.46 5.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 0.823 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.11 HG13 HG23 ' A' ' 84' ' ' ILE . 4.3 m -115.94 104.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.636 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -135.13 169.7 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.389 1.056 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -41.88 106.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -76.49 116.77 59.4 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 109.259 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.422 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -74.95 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.489 1.783 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.25 -1.75 28.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 t -128.31 7.49 5.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.422 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 2.1 mt-30 58.7 154.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -164.52 153.67 11.62 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -59.98 0.1 OUTLIER 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.972 -0.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -119.45 -28.99 5.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.75 160.3 47.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.06 5.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.783 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 tp -129.99 175.54 8.79 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 1.131 . . . . 0.0 109.389 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.11 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -75.52 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -132.85 133.31 43.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.4 t -103.76 136.1 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.3 tt -123.94 122.59 38.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.65 151.44 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 126.34 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.88 -1.34 63.17 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.752 HD21 ' HG2' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -112.83 -168.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.606 0.827 . . . . 0.0 109.353 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.72 -150.09 26.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.1 pt-20 -142.76 143.22 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 0.763 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.7 t70 -142.04 165.45 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -103.6 132.28 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.402 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 98.1 m-85 -126.47 169.94 12.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -93.39 157.82 38.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -20.94 16.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -99.08 5.56 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.74 -61.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.9 pp -97.12 166.38 11.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.98 168.35 16.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 44' ' ' VAL . 3.8 tp -77.5 131.76 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.01 152.58 90.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.05 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.416 1.745 . . . . 0.0 110.963 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.492 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.8 t . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.91 125.3 22.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.405 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.82 65.27 0.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . . . -147.34 159.34 42.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.505 1.792 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.539 ' O ' HD11 ' A' ' 69' ' ' LEU . 22.2 m -131.96 177.74 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -99.38 148.4 24.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 110.353 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.37 137.99 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.17 17.01 73.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -81.84 145.07 30.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -93.43 109.43 21.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 103' ' ' LEU . 26.8 m -109.75 171.9 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -126.43 119.78 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.97 133.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.882 ' O ' HD11 ' A' ' 55' ' ' ILE . 3.4 p -70.35 136.25 86.5 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.214 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.492 ' HA ' HD12 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.99 -36.95 2.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.803 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 47' ' ' VAL . 5.5 m170 -91.13 158.37 16.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -117.3 125.49 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -111.91 -45.48 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 53' ' ' GLY . 4.1 t70 -71.63 -91.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -175.87 33.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -149.88 134.26 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.882 HD11 ' O ' ' A' ' 47' ' ' VAL . 8.1 tp -171.66 158.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -136.91 118.38 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -32.32 71.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HD3' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -62.02 -35.89 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CE1' HD22 ' A' ' 91' ' ' LEU . 28.5 m-85 -101.3 18.69 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 48' ' ' PRO . 12.7 tp -60.07 110.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.86 28.39 73.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.389 1.056 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 172.4 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 110.312 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 m -141.01 115.05 9.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.72 -179.33 16.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mt -111.48 154.45 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.791 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 HG21 ' A' ' 38' ' ' VAL . 58.9 t -89.41 105.4 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 85' ' ' GLN . 8.9 p -77.42 -23.17 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -135.79 134.99 7.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.008 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.1 tt -107.4 158.24 17.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.05 HG13 HG23 ' A' ' 84' ' ' ILE . 18.8 m -88.72 104.99 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.783 ' CD2' HD22 ' A' ' 69' ' ' LEU . 5.8 m-85 -134.68 169.16 17.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.36 106.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.363 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.94 116.64 55.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.257 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.452 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.91 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.546 1.814 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.99 -7.24 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.557 ' O ' HG22 ' A' ' 76' ' ' THR . 4.8 m -123.51 12.16 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.44 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' THR . 2.7 mt-30 59.79 149.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.7 154.75 12.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.565 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -58.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.958 -0.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.95 -28.0 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.47 163.99 46.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -53.48 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.887 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.7 pt? -100.55 175.92 5.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.05 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.29 144.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 67' ' ' VAL . 3.4 pt20 -137.09 130.11 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -99.0 146.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.5 tt -134.09 117.63 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 91' ' ' LEU . 47.3 t -85.54 152.64 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.24 133.63 48.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.13 11.15 44.33 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.375 1.047 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -121.16 -165.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 0.705 . . . . 0.0 109.266 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.78 -155.02 30.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.643 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.4 pt-20 -142.58 134.12 26.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 2.0 t70 -132.31 166.65 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.548 HD22 HD21 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -101.79 130.54 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.942 ' HB3' HD11 ' A' ' 101' ' ' LEU . 92.7 m-85 -126.34 162.35 25.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -91.28 159.74 38.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.2 19.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.85 -0.94 38.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.684 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.4 mm-40 -83.59 -70.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.942 HD11 ' HB3' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -100.27 168.98 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.203 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -118.05 160.75 20.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.559 1.162 . . . . 0.0 110.228 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 104' ' ' ALA . 2.5 tt -80.55 126.42 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.54 ' N ' HD23 ' A' ' 103' ' ' LEU . . . -74.1 147.19 85.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -54.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 26.9 t . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.43 140.94 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.512 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 85.7 88.92 0.93 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.88 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.59 159.2 13.56 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.584 0.814 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.99 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 66' ' ' VAL . 11.7 m -124.49 177.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -112.25 144.13 42.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 69' ' ' LEU . 41.9 mm -56.14 130.45 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.38 17.32 80.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.81 142.81 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 0.778 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 22.8 tttt -93.47 123.86 37.07 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.598 1.186 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 103' ' ' LEU . 18.9 m -126.64 172.38 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.76 121.45 40.86 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.08 120.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG11 ' C ' ' A' ' 100' ' ' GLU . 2.1 p -60.97 130.78 91.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.04 -41.65 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.524 1.802 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.94 140.97 58.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.508 1.13 . . . . 0.0 109.534 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.1 t -95.98 109.28 21.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -108.29 -44.71 4.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.69 159.77 14.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.32 -37.39 39.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.04 132.54 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 55' ' ' ILE . 3.2 tp -161.32 165.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.23 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 t -145.87 120.36 9.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -79.19 -18.08 53.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -46.25 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.1 m-85 -83.74 -11.8 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 99.87 46.02 1.98 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.405 1.065 . . . . 0.0 111.028 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HB3' HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -135.23 -168.4 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 44' ' ' VAL . 76.8 m -156.6 115.94 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.5 -176.46 14.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 mt -113.01 152.04 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 38' ' ' VAL . 38.5 t -89.27 116.65 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.44 -60.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.178 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -108.0 156.05 15.97 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.88 HD21 ' HB1' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -106.13 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -136.93 169.41 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.11 106.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -68.59 114.11 20.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.46 -0.1 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.1 t -129.56 9.71 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.29 148.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.351 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.74 154.62 12.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.575 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 17.9 Cg_endo -75.06 -59.36 0.12 OUTLIER 'Cis proline' 0 C--N 1.361 1.218 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.924 -0.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.03 -28.01 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.1 165.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.668 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -113.48 175.14 5.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 68' ' ' GLY . 1.2 pt -75.42 142.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.595 1.185 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HB3' HD23 ' A' ' 95' ' ' LEU . 6.7 pt20 -136.58 129.69 31.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.47 136.46 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -125.24 124.45 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.41 HG21 ' HB3' ' A' ' 62' ' ' GLN . 17.0 t -93.48 151.96 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.38 123.06 19.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.77 -7.55 62.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -166.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 0.81 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.0 -157.8 28.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.638 ' HB3' HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -136.86 140.17 42.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 5.7 t70 -137.39 166.63 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.56 134.54 44.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -130.54 170.44 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -95.12 158.28 35.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -17.97 18.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.22 -5.24 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.464 ' C ' HG11 ' A' ' 47' ' ' VAL . 3.0 mt-10 -85.37 -64.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -97.04 161.74 13.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.054 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -119.63 168.45 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.651 ' HA ' HG12 ' A' ' 44' ' ' VAL . 4.3 tp -77.33 124.85 28.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -50.95 149.19 6.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.217 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -55.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.364 1.718 . . . . 0.0 110.969 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -50.49 131.91 25.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.82 79.2 1.45 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -161.47 159.44 23.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -33.33 4.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.505 HG21 HG21 ' A' ' 66' ' ' VAL . 4.7 m -126.78 177.99 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -119.62 144.92 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.94 127.09 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.416 ' HA2' ' CG2' ' A' ' 65' ' ' ILE . . . 77.35 11.36 85.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.579 1.174 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.24 141.56 39.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 63' ' ' THR . 25.7 tttt -93.96 116.3 28.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.244 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.657 HG12 HD12 ' A' ' 103' ' ' LEU . 27.7 m -115.33 172.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 11.8 ttpt -125.36 122.49 36.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.06 113.78 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -55.32 160.87 3.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.645 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.11 119.7 36.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -69.3 174.15 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' OG ' ' A' ' 50' ' ' SER . 8.3 mt-10 -103.62 -24.46 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -73.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.94 -45.42 0.08 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.9 t -62.07 134.2 56.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 0.816 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.416 HD13 ' H ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -159.56 159.63 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.416 ' H ' HD13 ' A' ' 55' ' ' ILE . 12.1 t -127.39 110.45 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.932 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -65.37 -27.45 68.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -65.53 -39.57 91.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . 25.6 m-85 -91.39 -19.56 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.668 1.23 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 60' ' ' LEU . 3.3 tt -49.21 94.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 106.64 36.74 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.603 1.189 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -168.66 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 44' ' ' VAL . 19.4 m -157.2 113.14 2.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.186 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.8 -177.4 16.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -118.24 150.48 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 68' ' ' GLY . 22.6 t -84.72 116.34 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.643 1.214 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.559 HG12 ' CG ' ' A' ' 85' ' ' GLN . 12.1 p -79.79 -33.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.692 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -121.37 -145.04 7.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 36' ' ' ALA . 1.3 tt -174.66 175.03 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 0.719 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.036 HG13 HG23 ' A' ' 84' ' ' ILE . 13.0 m -106.0 103.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.199 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -136.46 169.21 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 106.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -81.79 115.64 58.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.7 Cg_endo -74.98 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.22 -4.38 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 10.4 t -124.34 3.11 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.423 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 33.3 mt-30 59.36 151.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.376 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -158.77 154.65 23.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.98 -58.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.028 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -116.77 -27.97 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.59 161.89 56.37 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -34.02 4.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.901 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.5 pt? -116.04 175.9 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.036 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -74.89 145.18 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.559 ' CG ' HG12 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -130.37 139.1 50.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.97 141.85 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' A' ' 93' ' ' GLU . 9.7 tt -132.28 121.53 23.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.5 t -88.63 153.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.368 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.87 128.29 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.568 1.168 . . . . 0.0 110.312 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.0 6.89 61.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.5 -170.08 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.12 -160.57 35.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.629 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.1 pt-20 -141.12 138.25 33.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -132.39 166.84 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -101.54 128.85 47.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.28 158.49 52.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.85 13.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -99.16 3.17 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -88.38 -68.67 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.4 pp -97.0 160.58 14.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.613 1.195 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.53 168.36 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.657 HD12 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -77.79 125.94 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.85 97.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.562 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 25.2 t . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 144.68 26.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.176 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.21 -46.45 1.17 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.845 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -41.29 158.77 0.18 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.551 0.795 . . . . 0.0 109.301 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' HG23 ' A' ' 70' ' ' VAL . 18.0 Cg_endo -75.06 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.658 ' O ' HD11 ' A' ' 69' ' ' LEU . 16.8 m -133.12 177.4 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -93.98 170.97 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 mm -77.03 141.54 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.09 10.66 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.99 141.84 42.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -95.07 113.71 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.735 HG12 HD12 ' A' ' 103' ' ' LEU . 26.9 m -115.65 171.89 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -125.58 115.84 20.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 59' ' ' PHE . 21.0 m -67.14 125.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.628 1.205 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.19 129.94 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.787 . . . . 0.0 111.071 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 150.0 9.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.9 t -115.08 98.61 6.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.09 -40.49 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -175.07 3.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.69 -76.46 0.68 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 t -73.62 132.34 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -153.5 158.45 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m -104.4 121.56 43.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.177 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.57 -28.78 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -76.64 -27.02 55.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.207 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 46' ' ' VAL . 23.7 m-85 -99.23 17.53 19.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 70.56 48.09 38.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -98.22 -176.08 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 m -147.37 122.85 10.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.4 -173.76 16.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.409 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -113.58 154.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.578 HG21 HG21 ' A' ' 38' ' ' VAL . 74.8 t -84.04 105.58 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.8 -36.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -128.3 147.99 17.65 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.92 HD23 ' N ' ' A' ' 70' ' ' VAL . 6.3 tt -113.66 163.21 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 0.803 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.92 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -96.05 104.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.855 ' CE2' HD22 ' A' ' 69' ' ' LEU . 12.4 m-85 -134.83 169.17 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.06 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -42.4 106.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.34 114.99 49.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -164.2 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.58 -3.03 38.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.4 t -127.36 9.59 6.67 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.76 153.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.619 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.23 154.46 12.81 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.93 -59.41 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.041 -0.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.24 -28.62 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -123.4 156.12 64.37 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.356 1.035 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.6 tp -111.53 174.97 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.4 144.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.382 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -133.19 136.22 45.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.423 HG11 HG13 ' A' ' 46' ' ' VAL . 2.7 t -113.26 122.35 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.2 tt -108.31 124.73 50.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.58 HG21 ' HG2' ' A' ' 62' ' ' GLN . 49.1 t -88.03 151.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 130.29 41.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.247 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.96 5.86 54.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -169.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.16 -155.05 31.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.743 ' HB3' HD12 ' A' ' 87' ' ' LEU . 2.2 pt-20 -139.67 150.06 44.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.226 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.46 ' C ' HD22 ' A' ' 95' ' ' LEU . 3.7 t70 -145.88 167.03 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -101.15 130.57 47.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.486 ' CZ ' HG11 ' A' ' 46' ' ' VAL . 67.0 m-85 -125.61 162.81 24.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.417 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 4.7 m-85 -89.3 159.42 44.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -20.66 16.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.957 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -99.66 -4.9 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.417 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 4.2 mm-40 -83.68 -61.43 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.503 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.3 pp -97.09 170.5 9.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -136.04 167.5 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.213 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.735 HD12 HG12 ' A' ' 44' ' ' VAL . 8.0 tp -77.58 131.84 38.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 152.37 3.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -54.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.552 1.817 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.588 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 49.7 t . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.246 -0.649 . . . . 0.0 109.246 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.81 115.31 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.84 64.59 0.32 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.411 1.07 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.833 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -145.37 158.93 50.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.42 0.717 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.478 1.778 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.667 HG21 HG21 ' A' ' 66' ' ' VAL . 21.7 m -125.64 177.55 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.683 1.24 . . . . 0.0 109.246 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 6.9 tmm_? -105.65 157.37 17.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.367 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 mm -63.72 132.5 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.37 2.9 81.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.376 1.047 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -67.88 141.56 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.3 OUTLIER -93.22 120.4 33.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.513 ' HB ' HD13 ' A' ' 101' ' ' LEU . 33.8 m -115.66 171.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -128.7 116.17 19.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.427 ' CG2' HG11 ' A' ' 86' ' ' VAL . 59.2 t -67.84 127.52 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.713 HG23 HD11 ' A' ' 55' ' ' ILE . 2.3 m -55.36 160.33 3.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.15 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.44 1.758 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -112.85 148.22 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.594 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 55' ' ' ILE . 29.9 t -47.7 146.55 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.84 -26.43 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.072 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.6 OUTLIER -130.43 -49.1 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.74 -64.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.22 133.61 56.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 0.744 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.713 HD11 HG23 ' A' ' 47' ' ' VAL . 4.4 tp -171.77 164.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -139.49 118.6 12.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.26 -15.85 63.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -79.53 -40.29 29.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.237 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -94.01 17.62 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.64 102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.88 36.8 61.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.544 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -101.06 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.234 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 43' ' ' LYS . 4.6 m -127.75 126.19 41.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.358 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.57 -158.74 7.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -135.46 153.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.667 HG21 HG21 ' A' ' 38' ' ' VAL . 40.1 t -82.4 140.5 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.427 ' CG2' ' CG ' ' A' ' 85' ' ' GLN . 41.3 t -88.79 -47.67 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.54 -133.77 4.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.424 1.078 . . . . 0.0 110.976 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.833 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -167.95 163.28 13.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.062 HG12 ' HA ' ' A' ' 83' ' ' LEU . 9.0 m -99.97 102.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.668 ' CD2' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -137.71 169.92 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -41.75 106.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.02 114.87 20.16 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.434 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -164.19 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.49 -5.09 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.588 ' O ' HG22 ' A' ' 76' ' ' THR . 5.4 m -127.2 14.8 7.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.195 . . . . 0.0 110.429 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER 60.0 147.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.86 153.78 11.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.564 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.09 -59.31 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.986 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.34 -28.1 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.91 169.08 14.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.605 1.845 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.062 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.3 pt? -131.75 176.56 8.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.537 HG22 HG11 ' A' ' 66' ' ' VAL . 1.1 pt -74.25 144.82 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.384 1.052 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.427 ' CG ' ' CG2' ' A' ' 67' ' ' VAL . 1.0 OUTLIER -132.99 127.58 34.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 96' ' ' PHE . 2.9 t -96.93 133.15 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.7 tt -124.54 121.95 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.544 HG21 ' HG2' ' A' ' 62' ' ' GLN . 24.9 t -93.41 150.21 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.085 . . . . 0.0 109.337 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.91 130.29 41.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.69 61.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.8 -165.33 1.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 0.75 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.0 -164.66 30.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -133.88 138.36 45.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 0.714 . . . . 0.0 110.305 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.8 t70 -135.23 166.67 22.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.51 127.77 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CE1' ' HB ' ' A' ' 86' ' ' VAL . 68.7 m-85 -123.84 160.82 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.14 159.24 48.44 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.25 18.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.63 -1.74 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 52' ' ' ASP . 4.8 mm-40 -83.26 -69.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.225 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.513 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.0 pp -96.99 168.18 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.22 164.74 15.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 110.223 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.49 131.08 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.26 152.24 39.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.591 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 47.3 t . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.68 129.34 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.591 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.31 87.11 1.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.572 1.17 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.89 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -164.14 158.88 16.34 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.462 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -74.99 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 66' ' ' VAL . 25.5 m -124.1 177.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -111.46 154.8 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.439 1.087 . . . . 0.0 110.246 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.6 mm -60.92 133.67 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.064 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.17 82.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -71.97 133.03 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.45 ' HD3' HD11 ' A' ' 65' ' ' ILE . 2.9 ttpt -92.98 114.07 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.905 HG12 HD12 ' A' ' 103' ' ' LEU . 34.7 m -108.03 171.31 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -122.55 113.94 19.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CG2' HG11 ' A' ' 86' ' ' VAL . 42.9 t -66.64 123.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.05 157.4 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.546 1.814 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -106.31 148.63 27.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.482 ' HB2' HG21 ' A' ' 55' ' ' ILE . 26.6 t -53.44 145.03 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.915 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.21 -34.44 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.03 -60.76 1.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.389 1.056 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.52 -63.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.6 t -61.85 138.76 58.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 50' ' ' SER . 8.3 tp -171.44 156.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.3 t -129.03 121.38 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -64.98 -19.54 66.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -71.49 -47.92 52.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -88.42 18.33 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.49 99.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.65 24.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.45 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -109.49 163.11 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.363 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.4 m -125.34 126.42 45.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.408 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -140.95 -174.36 14.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.45 HD11 ' HD3' ' A' ' 43' ' ' LYS . 1.6 mt -118.81 160.47 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 38' ' ' VAL . 45.0 t -85.21 139.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.36 -43.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.51 -131.19 3.23 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.89 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -169.7 173.21 6.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 0.746 . . . . 0.0 109.237 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.002 HG12 ' HA ' ' A' ' 83' ' ' LEU . 24.3 m -110.06 103.16 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.775 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.5 m-85 -136.92 169.86 17.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 111.05 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 106.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.81 114.47 32.73 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.403 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.09 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.51 -0.53 42.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -128.36 7.94 5.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.564 1.165 . . . . 0.0 110.465 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.7 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -155.76 154.53 28.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.588 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.07 -60.88 0.06 OUTLIER 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.022 0.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.39 -28.44 5.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.426 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 12.6 m-20 -122.95 160.81 47.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.002 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 pt? -121.96 175.63 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.728 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -75.66 144.83 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.386 1.054 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.426 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 5.7 pt20 -137.17 138.42 40.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.406 1.066 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -105.93 139.49 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 93' ' ' GLU . 9.3 tt -127.61 129.41 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.622 1.201 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.462 HG11 HD13 ' A' ' 91' ' ' LEU . 32.5 t -99.42 149.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.32 124.16 23.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.244 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.76 -6.43 65.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.462 HD13 HG11 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -108.34 -165.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.744 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -148.44 23.92 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.8 pt-20 -143.24 150.06 38.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.752 ' C ' HD13 ' A' ' 95' ' ' LEU . 3.3 t70 -148.08 166.96 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.793 ' N ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -106.26 134.9 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.562 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 92.0 m-85 -130.72 170.33 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.95 159.46 29.33 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -16.8 19.87 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.76 -4.33 30.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.28 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.98 -65.76 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.35 1.031 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.525 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.8 pp -96.69 169.25 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -123.73 168.41 12.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.905 HD12 HG12 ' A' ' 44' ' ' VAL . 7.8 tp -77.36 124.01 27.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.89 146.32 5.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.589 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 26.2 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -64.31 133.41 52.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 91.6 89.69 1.42 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.902 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -164.94 159.33 14.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.437 0.728 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.6 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 1.022 HG21 HG21 ' A' ' 66' ' ' VAL . 28.6 m -128.0 177.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -108.55 153.39 23.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.422 HD11 ' HB2' ' A' ' 69' ' ' LEU . 44.1 mm -61.24 133.66 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.93 8.55 84.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -80.76 137.6 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.8 ttpt -94.4 112.73 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.605 HG11 HG11 ' A' ' 38' ' ' VAL . 27.1 m -103.84 171.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -123.22 113.64 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.29 117.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 m -54.99 160.57 2.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -117.48 140.7 49.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.612 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.403 ' HA ' ' OE2' ' A' ' 100' ' ' GLU . 4.5 t -86.34 156.24 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.14 6.46 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -123.58 -82.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.04 -55.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.15 136.85 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.769 . . . . 0.0 110.458 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 55' ' ' ILE . 7.3 tp -171.43 164.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 m -141.49 114.66 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.947 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.02 -12.61 61.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -83.48 -36.3 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -97.86 18.58 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.64 90.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.45 8.32 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.396 1.06 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.772 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -101.9 178.56 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.422 HG22 ' HG2' ' A' ' 43' ' ' LYS . 13.6 m -150.27 111.85 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.08 -173.27 13.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -117.87 149.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 1.022 HG21 HG21 ' A' ' 38' ' ' VAL . 23.9 t -77.93 126.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -71.98 -45.66 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.84 -124.83 2.82 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.902 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -170.84 177.88 3.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -113.27 102.05 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.22 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.69 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -137.97 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 111.092 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.13 106.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.85 114.42 32.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.2 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -167.13 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.567 1.825 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.67 -3.91 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.9 t -127.0 12.14 7.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.04 152.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.9 153.8 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.575 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -56.56 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.232 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.001 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -27.71 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.406 ' CG ' ' OE1' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -128.18 164.15 39.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -34.12 4.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.6 1.842 . . . . 0.0 110.981 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.642 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -129.73 176.02 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.32 144.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.642 ' HB3' HD12 ' A' ' 95' ' ' LEU . 2.9 pt20 -135.74 131.36 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.497 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -104.04 143.28 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.2 tt -132.84 128.56 36.96 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.632 1.208 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.772 HG21 ' HG2' ' A' ' 62' ' ' GLN . 27.0 t -97.19 151.29 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 123.01 21.17 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 -9.81 59.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.148 . . . . 0.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 -168.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 -160.97 32.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.604 ' HB3' HD12 ' A' ' 87' ' ' LEU . 1.8 pt-20 -136.92 144.28 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 0.817 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.469 ' C ' HD13 ' A' ' 95' ' ' LEU . 13.2 t70 -141.27 166.62 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -101.48 133.73 45.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.497 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 96.7 m-85 -124.83 170.46 11.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.401 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 1.6 m-85 -97.19 159.27 31.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.85 -23.84 13.76 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.457 1.767 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.58 4.36 45.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.403 ' OE2' ' HA ' ' A' ' 50' ' ' SER . 15.8 mm-40 -89.99 -66.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -125.09 168.5 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.78 120.66 23.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -64.57 143.44 98.61 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 110.235 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.596 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 35.9 t . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 109.3 -0.629 . . . . 0.0 109.3 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.87 122.09 15.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.62 88.01 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.882 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.34 158.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.463 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 17.8 Cg_endo -75.08 -44.88 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 66' ' ' VAL . 30.3 m -121.59 176.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -110.69 138.59 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.724 HD11 ' HB2' ' A' ' 69' ' ' LEU . 27.5 mm -57.37 130.97 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.99 14.57 81.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.86 141.79 28.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 19.2 tttt -93.99 114.7 26.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 103' ' ' LEU . 35.3 m -108.44 171.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -121.76 116.39 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.14 119.14 14.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 47' ' ' VAL . 1.7 m -55.73 160.48 4.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.97 136.87 52.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.773 ' CB ' HD13 ' A' ' 55' ' ' ILE . 29.7 t -107.61 176.58 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -41.08 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 179.61 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.88 -36.18 61.37 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -67.23 131.96 46.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 110.426 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.773 HD13 ' CB ' ' A' ' 50' ' ' SER . 6.7 tp -171.49 164.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -145.85 114.32 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.056 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -75.18 -17.83 60.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -75.57 -18.26 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.517 ' CE1' HD22 ' A' ' 91' ' ' LEU . 24.1 m-85 -112.46 19.25 17.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.8 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.792 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -94.13 165.71 12.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.364 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -133.23 110.32 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.35 179.52 16.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.56 1.162 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 42' ' ' ALA . 2.0 mt -110.72 156.49 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 38' ' ' VAL . 56.1 t -85.8 126.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.43 -41.94 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.648 1.217 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.39 153.91 22.19 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.882 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -100.71 -179.38 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.063 HG13 HG23 ' A' ' 84' ' ' ILE . 9.9 m -112.92 103.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CE2' ' HB ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -136.64 169.26 18.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -42.33 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -76.44 114.3 36.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -0.84 23.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 14.5 t -129.31 7.12 5.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.426 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 8.2 mt-30 58.36 155.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.566 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -164.0 152.93 11.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.566 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.0 -57.76 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.899 -2.542 . . . . 0.0 110.987 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.19 -27.74 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.38 172.1 7.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.597 1.186 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.85 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 tp -107.03 176.02 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.063 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -74.73 145.86 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CB ' HD22 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -136.93 138.75 40.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.83 147.02 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tt -131.39 117.27 18.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.792 HG21 ' HG2' ' A' ' 62' ' ' GLN . 39.5 t -86.04 150.87 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.72 132.63 47.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.56 17.1 59.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.517 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -129.85 -165.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -155.59 30.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.25 145.75 34.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.361 0.683 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 95' ' ' LEU . 14.6 t70 -142.24 166.89 23.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -101.61 136.75 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.209 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -133.83 170.41 15.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 5.9 m-85 -95.57 158.82 33.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.12 -22.43 14.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.39 0.93 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 18.4 mt-10 -88.79 -62.23 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 101' ' ' LEU . 2.7 pp -98.25 158.41 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -112.12 167.57 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.23 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 44' ' ' VAL . 4.7 tp -77.47 132.13 38.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -68.96 154.37 95.08 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 21.9 t . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.65 132.44 52.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.43 89.6 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.831 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.94 159.04 12.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.732 HG21 HG21 ' A' ' 66' ' ' VAL . 16.5 m -128.56 177.03 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 157.29 18.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.2 mm -64.92 130.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.85 11.03 83.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -79.82 138.78 37.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -94.58 113.92 25.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.696 HG12 HD12 ' A' ' 103' ' ' LEU . 17.5 m -112.7 172.12 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -122.49 124.91 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.236 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.03 124.22 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.563 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.7 p -65.81 115.27 21.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -17.29 19.58 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.77 147.14 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -115.84 102.46 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -112.99 -36.27 5.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.89 -54.31 14.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.18 -68.84 0.29 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.509 1.131 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -86.22 132.22 34.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -145.99 160.89 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.435 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 16.5 p -85.59 138.48 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.54 ' HA ' HD12 ' A' ' 60' ' ' LEU . 71.9 tp60 -93.13 -29.87 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -50.76 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -81.92 7.37 13.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -52.39 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.09 46.61 6.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.46 -172.23 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 128.69 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.68 -163.24 9.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -130.2 150.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.409 0.711 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.732 HG21 HG21 ' A' ' 38' ' ' VAL . 21.6 t -81.77 122.66 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -75.62 -51.93 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.466 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -114.97 -133.47 5.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.831 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -169.89 177.37 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.003 HG12 ' HA ' ' A' ' 83' ' ' LEU . 3.4 m -111.2 103.36 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -137.05 168.29 19.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 138.61 17.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -100.02 111.18 61.61 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.51 -58.24 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 1.9 m -133.26 -40.87 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.41 ' NE2' ' HD3' ' A' ' 82' ' ' PRO . 6.9 pt20 167.17 -179.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.392 1.057 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -161.94 154.54 16.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.376 1.047 . . . . 0.0 110.981 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.86 -54.25 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.067 -2.472 . . . . 0.0 111.039 -0.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.55 -27.59 8.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.351 1.032 . . . . 0.0 109.313 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.463 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 3.2 m-20 -122.2 161.55 42.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.41 ' HD3' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.94 -44.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 1.003 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 pt? -113.16 176.16 5.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.228 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.839 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -74.15 145.51 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 27.6 pt20 -131.71 130.97 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.24 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.9 t -104.18 134.63 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.1 tt -124.33 122.84 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 56.3 t -90.65 150.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.27 119.88 16.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.56 -11.78 60.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -165.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 0.81 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.4 -155.69 31.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.61 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.7 pt-20 -142.69 132.72 24.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.35 166.2 21.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.661 HD13 HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -102.36 126.58 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.477 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 98.7 m-85 -118.05 170.11 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -99.34 158.27 32.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.49 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.04 -7.08 27.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.563 ' O ' HG11 ' A' ' 47' ' ' VAL . 6.0 mt-10 -85.35 -66.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 101' ' ' LEU . 2.2 pp -97.23 167.63 10.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.98 168.2 15.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HG12 ' A' ' 44' ' ' VAL . 11.3 tp -78.59 131.68 36.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . . . -85.07 146.79 46.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.02 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 89.8 t . . . . . 0 N--CA 1.454 -0.245 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.41 119.2 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.43 65.68 0.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.547 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -143.7 160.34 50.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HG3' ' CG2' ' A' ' 70' ' ' VAL . 18.1 Cg_endo -75.04 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.548 HG21 HG21 ' A' ' 66' ' ' VAL . 14.7 m -133.8 175.27 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.69 168.79 10.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mm -75.17 141.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.85 6.89 53.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -75.39 139.87 42.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HE2' ' CG2' ' A' ' 63' ' ' THR . 14.8 tttt -93.49 117.0 29.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' A' ' 103' ' ' LEU . 31.3 m -116.24 171.74 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -118.11 122.2 42.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.183 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.48 123.05 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.385 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.38 125.51 79.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.59 1.837 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.03 149.15 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -111.15 93.89 4.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -102.89 -44.47 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.06 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.88 -83.35 0.1 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -67.85 132.58 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -146.18 161.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.417 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 24.7 t -110.48 119.08 38.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.413 1.071 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.66 -10.8 60.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -83.86 -51.93 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.412 ' CE1' HD22 ' A' ' 91' ' ' LEU . 47.6 m-85 -81.7 7.21 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.47 108.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.19 36.53 71.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.09 171.45 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.465 ' CG2' ' HE2' ' A' ' 43' ' ' LYS . 2.2 m -133.51 131.35 39.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.2 -172.11 13.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -121.62 151.91 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 68' ' ' GLY . 27.0 t -86.2 118.73 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -47.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.6 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -118.77 -138.12 5.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.984 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.4 tt -169.96 162.73 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.984 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.6 m -93.89 104.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.825 ' CE2' HD22 ' A' ' 69' ' ' LEU . 6.9 m-85 -135.04 169.33 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.6 106.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -75.0 113.98 30.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.475 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.89 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.821 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.43 -30.46 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 76' ' ' THR . 43.4 m -101.66 12.98 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' THR . 5.6 tp-100 58.91 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.36 1.037 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.73 154.14 11.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -60.35 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.934 -2.528 . . . . 0.0 111.009 -0.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.39 -29.06 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.01 157.0 53.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.01 4.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.759 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -129.47 176.88 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.393 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.687 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.25 144.16 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.413 ' NE2' ' OE2' ' A' ' 93' ' ' GLU . 18.3 pt20 -137.21 129.54 29.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.446 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -96.84 147.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.3 tt -137.9 116.04 11.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' HD23 ' A' ' 87' ' ' LEU . 77.9 t -84.36 151.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.374 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 122.5 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.45 -5.69 63.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.436 1.085 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -104.6 -164.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.234 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.08 -158.71 30.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.617 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.0 pt-20 -135.95 136.57 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -136.48 165.32 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -104.19 126.06 50.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.624 1.202 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.446 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 97.8 m-85 -120.68 170.39 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.48 158.32 34.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.8 20.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.522 1.801 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.26 -9.14 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.4 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.6 pp -96.95 160.77 14.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.91 168.4 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.223 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.48 ' HA ' HG12 ' A' ' 44' ' ' VAL . 6.7 tp -77.28 133.79 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.4 148.71 83.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -54.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.811 HG13 ' HB2' ' A' ' 36' ' ' ALA . 7.5 p . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -87.76 119.5 28.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.15 6.83 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.811 ' HB2' HG13 ' A' ' 33' ' ' VAL . . . -47.69 174.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.772 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.96 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 84' ' ' ILE . 34.1 m -127.21 177.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.803 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -112.22 170.33 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 69' ' ' LEU . 14.4 mm -81.1 126.3 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG2' ' A' ' 65' ' ' ILE . . . 71.75 6.57 63.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . . . -72.25 141.35 48.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.41 119.19 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 103' ' ' LEU . 16.1 m -119.3 171.95 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -120.62 119.88 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.42 ' CG2' HG11 ' A' ' 86' ' ' VAL . 81.5 t -67.02 120.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.2 p -60.95 127.61 87.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.71 150.71 48.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -121.53 100.3 6.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.28 -43.68 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -64.19 1.02 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.92 -83.86 0.09 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.6 t -70.5 137.04 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.435 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.31 157.1 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.42 ' HG ' ' HD2' ' A' ' 59' ' ' PHE . 8.5 t -102.61 110.7 22.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -18.69 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.2 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -76.22 -48.05 21.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HD2' ' HG ' ' A' ' 56' ' ' SER . 51.9 m-85 -86.67 10.85 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tp -54.3 100.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.25 24.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.593 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -106.71 -178.53 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -148.15 123.18 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.58 -161.51 9.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.1 mt -129.9 153.87 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 68' ' ' GLY . 22.0 t -80.75 126.89 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.431 HG23 ' HG3' ' A' ' 85' ' ' GLN . 53.5 t -76.03 -41.93 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -133.87 -138.89 4.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.513 1.133 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.772 HD21 ' HB1' ' A' ' 36' ' ' ALA . 4.3 tt -162.05 152.38 17.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.339 0.67 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.909 HG12 ' HA ' ' A' ' 83' ' ' LEU . 6.0 m -80.91 102.74 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.458 ' HE2' HG21 ' A' ' 33' ' ' VAL . 1.4 t80 -136.33 160.26 39.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.77 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.2 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 114.25 38.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.42 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.1 Cg_endo -75.02 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.33 -4.45 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -120.64 -6.21 9.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.42 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 3.9 tt0 69.27 146.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -161.58 153.88 16.68 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.173 . . . . 0.0 110.995 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.94 -57.9 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.961 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.1 -28.38 6.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.03 167.48 22.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -32.47 5.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.909 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 pt? -129.89 176.48 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.861 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -74.93 145.19 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.431 ' HG3' HG23 ' A' ' 67' ' ' VAL . 25.1 pt20 -132.48 132.77 43.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.5 t -99.61 136.05 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.1 tt -127.44 117.63 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.593 HG21 ' HG2' ' A' ' 62' ' ' GLN . 35.5 t -89.16 151.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.24 125.86 28.07 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.47 63.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.411 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -109.68 -166.27 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 -152.48 28.59 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.475 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.1 pt-20 -140.52 144.54 36.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.539 ' OD1' ' CZ ' ' A' ' 96' ' ' PHE . 1.9 t70 -143.58 163.65 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.664 HD13 HD21 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -103.33 128.49 50.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.539 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.9 m-85 -122.34 165.68 15.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.2 158.36 49.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.47 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.0 -23.28 13.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -98.21 -0.54 43.94 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.552 ' O ' HG11 ' A' ' 47' ' ' VAL . 2.1 mm-40 -85.23 -65.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.528 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.7 pp -97.09 167.79 10.84 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -125.0 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.467 ' HA ' HG12 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -77.54 109.45 11.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.39 145.62 2.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.233 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.576 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 58.3 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.12 130.12 42.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.13 -33.08 3.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.633 1.208 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.67 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -48.42 162.04 0.36 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.208 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.13 -51.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 110.992 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 66' ' ' VAL . 10.5 m -132.41 177.55 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.5 ttt-85 -102.75 158.8 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 38.2 mm -64.25 139.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.89 11.36 66.27 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.14 134.22 38.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 0.708 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CG ' HG12 ' A' ' 65' ' ' ILE . 1.1 ttmt -93.41 107.26 19.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.796 HG12 HD12 ' A' ' 103' ' ' LEU . 30.5 m -106.48 171.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 9.7 ttpt -119.35 119.81 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.415 ' CG2' HG11 ' A' ' 86' ' ' VAL . 77.3 t -65.88 122.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.381 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.511 ' O ' HD11 ' A' ' 55' ' ' ILE . 4.3 p -60.91 128.52 89.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -23.43 13.71 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.488 1.783 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -177.23 3.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 109.645 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 t -115.71 112.1 21.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.077 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -101.14 -43.92 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -93.42 -65.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.38 -62.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.8 t -59.19 149.82 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.388 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.511 HD11 ' O ' ' A' ' 47' ' ' VAL . 5.5 tp -166.07 164.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.2 m -143.91 112.15 6.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.42 -31.81 70.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -60.41 -42.19 95.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -95.04 20.05 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 60' ' ' LEU . 10.1 tt -62.5 112.54 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.374 1.046 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.47 92.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.677 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -98.29 -173.37 2.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.46 0.741 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.455 ' HG1' ' HG3' ' A' ' 45' ' ' LYS . 13.6 m -157.13 119.43 3.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.453 1.096 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.32 -173.22 12.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.462 HG12 ' CG ' ' A' ' 43' ' ' LYS . 1.6 mt -117.2 158.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.786 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 38' ' ' VAL . 39.6 t -89.07 110.63 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.39 -49.95 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.402 1.064 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.613 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -118.6 -132.85 4.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.949 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.2 tt -174.21 165.69 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.343 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.949 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.5 m -97.92 104.2 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.843 ' CE2' HD22 ' A' ' 69' ' ' LEU . 6.3 m-85 -135.42 168.73 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.355 1.035 . . . . 0.0 111.046 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.64 106.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.601 1.188 . . . . 0.0 109.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.88 113.96 32.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.437 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.86 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.27 -2.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.81 11.58 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.14 149.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.07 154.51 13.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -75.05 -59.12 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.012 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -118.83 -28.71 5.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.14 155.69 55.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.2 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.736 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.4 tp -126.89 175.84 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.677 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.94 144.35 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 85' ' ' GLN . 0.5 OUTLIER -137.84 136.3 37.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.415 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.4 t -107.79 134.73 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.207 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.0 tt -122.27 125.11 45.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.677 HG21 ' HG2' ' A' ' 62' ' ' GLN . 25.7 t -95.03 152.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 72.45 15.62 77.33 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.589 1.18 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.51 -166.07 1.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.99 -165.17 28.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.65 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.1 pt-20 -130.94 134.4 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 1.7 t70 -133.21 165.97 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 95' ' ' LEU . 6.6 mp -101.7 135.85 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.62 168.79 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.483 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 27.8 m-85 -90.63 159.55 40.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.08 14.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.39 -10.01 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.483 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 2.3 mm-40 -74.15 -64.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.3 pp -98.71 168.11 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -129.51 168.27 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.796 HD12 HG12 ' A' ' 44' ' ' VAL . 2.9 tp -77.58 120.33 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.63 153.89 9.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 91.2 t . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.06 133.79 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.39 49.23 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.064 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.624 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . . . -129.37 163.01 49.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 17.9 Cg_endo -75.12 -56.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.892 HG21 HG21 ' A' ' 66' ' ' VAL . 15.4 m -126.03 177.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.393 1.058 . . . . 0.0 109.392 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -108.58 154.19 22.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.221 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 69' ' ' LEU . 34.4 mm -61.5 135.26 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.64 12.49 83.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -81.9 137.04 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.417 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -93.4 119.68 32.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.606 1.191 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.888 HG12 HD12 ' A' ' 103' ' ' LEU . 29.0 m -120.59 171.83 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -123.54 116.14 22.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.1 t -67.61 113.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.28 161.18 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.535 1.808 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -118.96 158.58 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.636 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.424 ' CB ' HG12 ' A' ' 55' ' ' ILE . 33.8 t -115.82 169.04 9.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.604 1.19 . . . . 0.0 110.015 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.57 -26.41 18.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.92 -84.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.67 -53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.59 1.181 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 t -59.23 134.39 56.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.431 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -156.91 163.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 55' ' ' ILE . 92.7 p -116.96 122.48 44.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -87.78 -19.72 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.96 -28.6 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CE1' HD22 ' A' ' 91' ' ' LEU . 56.5 m-85 -110.51 22.01 15.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -60.24 97.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.72 27.08 36.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.593 1.183 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.4 ' N ' HE21 ' A' ' 62' ' ' GLN . 0.0 OUTLIER -95.1 177.44 5.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -145.97 123.68 11.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.357 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.67 -172.57 13.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.4 mt -117.71 155.52 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.39 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.892 HG21 HG21 ' A' ' 38' ' ' VAL . 13.6 t -85.65 112.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.29 -31.28 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.554 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -135.26 144.26 16.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 1.032 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.0 tt -106.02 158.36 16.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.066 HG13 HG23 ' A' ' 84' ' ' ILE . 10.7 m -89.56 104.74 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.731 ' CD2' HD22 ' A' ' 69' ' ' LEU . 3.5 m-85 -134.72 169.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.43 106.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.214 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.54 117.86 69.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.53 -2.72 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -126.08 7.0 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 58.92 154.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -164.6 155.88 13.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.596 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -57.67 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 -0.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.87 -27.64 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD2' HD21 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -130.98 160.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.56 1.821 . . . . 0.0 111.014 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.851 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -106.11 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.066 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.4 145.03 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.451 ' HB3' HD23 ' A' ' 95' ' ' LEU . 20.0 pt20 -134.02 131.94 39.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.84 147.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -134.39 131.96 38.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.393 1.058 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.9 t -102.76 152.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 126.33 29.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.16 5.47 81.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.406 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -121.17 -166.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.412 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.31 -157.47 29.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.3 pt-20 -142.04 135.78 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.45 166.68 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.475 ' CB ' HD11 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -101.56 132.67 47.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.621 1.201 . . . . 0.0 109.335 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 83' ' ' LEU . 99.0 m-85 -126.88 170.56 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . 0.485 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -92.19 160.02 36.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.941 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.09 -26.72 10.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . 0.414 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 3.0 tp10 -96.53 -10.97 26.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . 0.485 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 6.4 mt-10 -70.13 -66.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.2 pp -97.37 156.99 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.49 168.46 9.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.888 HD12 HG12 ' A' ' 44' ' ' VAL . 8.9 tp -78.15 130.33 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.56 154.67 23.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.573 1.828 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.594 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 42.1 t . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.01 144.08 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 79.65 91.94 0.4 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.39 1.056 . . . . 0.0 111.019 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.783 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -166.26 160.5 12.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . 0.403 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.95 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.909 HG12 ' CD1' ' A' ' 103' ' ' LEU . 19.5 m -122.59 177.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -112.96 160.57 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.42 132.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.95 13.83 80.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -81.12 137.28 35.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.45 ' HG3' HD11 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -93.36 107.43 19.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.397 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.468 ' HB ' HD13 ' A' ' 101' ' ' LEU . 33.8 m -106.95 170.02 2.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 119.29 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 122.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.615 HG22 ' H ' ' A' ' 49' ' ' HIS . 7.9 p -60.01 123.2 71.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . 0.615 ' H ' HG22 ' A' ' 47' ' ' VAL . 30.4 m170 -104.09 162.89 12.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.583 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.8 t -103.27 117.58 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -108.14 -42.41 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -87.33 -61.22 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.78 -72.78 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -73.74 132.36 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 0.837 . . . . 0.0 110.458 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -144.69 159.57 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.9 t -95.02 118.54 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.923 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -19.37 60.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 13.3 ttt180 -77.37 -41.38 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . 0.458 ' CE1' HD22 ' A' ' 91' ' ' LEU . 46.0 m-85 -93.98 17.02 13.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.9 87.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 90.85 44.33 4.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.39 1.056 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -116.88 174.22 6.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 0.766 . . . . 0.0 110.363 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.6 m -135.8 124.84 24.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 110.482 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.67 -177.61 15.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.059 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.45 HD11 ' HG3' ' A' ' 43' ' ' LYS . 1.5 mt -115.47 155.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.695 HG21 HG21 ' A' ' 38' ' ' VAL . 48.1 t -84.9 130.41 36.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.75 -44.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.23 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -123.81 -132.71 3.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.878 HD22 ' CD2' ' A' ' 71' ' ' PHE . 5.0 tt -170.54 172.4 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 83' ' ' LEU . 2.2 m -105.59 102.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.878 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -137.91 169.42 17.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.1 106.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.83 116.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -164.64 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -1.82 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.77 7.89 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.3 154.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.587 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -164.62 153.07 10.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.12 -56.86 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 0.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -115.62 -28.23 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.8 165.84 27.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -30.87 6.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.991 HD21 HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -127.38 176.25 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -74.05 145.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -132.85 140.71 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.27 146.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.8 tt -136.45 116.23 13.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.39 153.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.36 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 133.91 49.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.6 11.05 40.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.458 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -123.38 -165.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.39 -161.07 29.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.6 pt-20 -136.75 136.55 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.545 ' C ' HD12 ' A' ' 95' ' ' LEU . 5.0 t70 -128.74 166.12 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.991 HD23 HD21 ' A' ' 83' ' ' LEU . 1.4 mp -101.53 130.2 47.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 84.1 m-85 -129.97 170.63 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -99.55 159.29 30.41 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . 0.403 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -19.19 18.04 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.593 1.838 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.46 -0.88 39.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.68 -64.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.468 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.6 pp -97.15 165.71 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -124.72 168.58 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.909 ' CD1' HG12 ' A' ' 38' ' ' VAL . 2.1 mp -77.33 121.58 23.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . . . -54.75 145.75 39.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 -54.03 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.685 ' C ' ' O ' ' A' ' 105' ' ' PRO . 22.2 tt0 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 13.4 t . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 139.44 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.32 72.22 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.405 1.065 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -153.24 155.18 31.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.685 ' O ' HD11 ' A' ' 69' ' ' LEU . 3.6 m -136.96 177.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.389 1.055 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.9 175.44 6.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' A' ' 69' ' ' LEU . 43.2 mm -79.53 146.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.46 4.77 58.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -67.81 133.07 48.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 0.82 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' HD11 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -94.28 112.71 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.426 ' HB ' HD13 ' A' ' 101' ' ' LEU . 35.4 m -107.19 171.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 104' ' ' ALA . 4.4 ttpt -130.79 120.48 23.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -73.1 102.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.211 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.443 ' H ' HG22 ' A' ' 47' ' ' VAL . 2.6 m -70.85 160.83 80.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.429 1.752 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.78 117.12 3.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -104.98 101.64 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -44.94 5.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.92 167.37 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.69 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.586 1.179 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -114.38 135.3 54.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -131.45 161.93 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 57.4 m -90.42 120.89 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -75.97 -29.92 58.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -69.16 -57.74 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.196 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.29 -8.38 31.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.58 94.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.81 27.11 8.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.84 176.35 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 110.344 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 m -132.3 132.87 43.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.462 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -142.52 -170.83 12.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.2 mt -129.09 154.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 68' ' ' GLY . 20.9 t -81.23 111.11 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.45 -45.21 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -126.81 -129.82 3.31 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.948 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.3 tt -173.3 162.82 4.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 0.74 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 1.027 HG13 HG23 ' A' ' 84' ' ' ILE . 10.3 m -93.46 104.38 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.791 ' CE2' HD22 ' A' ' 69' ' ' LEU . 8.1 m-85 -135.37 169.12 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.42 106.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.01 120.28 79.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.5 Cg_endo -75.03 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.32 -3.05 34.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 t -126.91 8.09 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLN . . . . . 0.402 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 1.8 mt-30 58.88 154.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.49 155.83 13.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' PRO . . . . . 0.594 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.94 -57.71 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.986 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.403 ' OD2' ' OE1' ' A' ' 85' ' ' GLN . 21.5 p-10 -114.58 -27.69 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -131.35 158.94 73.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.19 16.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 95' ' ' LEU . 1.3 pt? -129.76 175.92 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 1.027 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.28 145.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . 0.564 ' CB ' HD23 ' A' ' 95' ' ' LEU . 8.4 pt20 -130.67 133.1 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.462 HG13 ' HA3' ' A' ' 64' ' ' GLY . 2.5 t -100.74 136.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 88' ' ' VAL . 7.1 tt -126.76 116.04 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' VAL . . . . . 0.454 HG11 HD13 ' A' ' 91' ' ' LEU . 53.2 t -85.91 152.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -69.67 132.06 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.31 9.79 44.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -120.01 -165.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.2 -150.49 27.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -144.95 144.65 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -144.24 165.53 27.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.861 HD13 HD21 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -104.0 135.44 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' PHE . . . . . 0.595 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 92.8 m-85 -131.11 170.25 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.0 159.13 35.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -23.92 13.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -99.46 1.85 44.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.16 -63.91 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.3 pp -96.82 160.12 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.25 168.58 11.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.488 HD11 ' CG1' ' A' ' 38' ' ' VAL . 1.4 mp -77.31 136.43 38.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 45' ' ' LYS . . . -75.73 150.9 84.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -54.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.337 0 CA-C-O 120.456 0.169 . . . . 0.0 111.045 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.7 tp -72.48 143.83 13.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -84.02 99.64 10.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 110.289 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -104.1 144.74 29.29 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 90.02 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.798 . . . . 0.0 110.985 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.8 p -77.58 -24.81 49.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 109.946 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.9 tp -115.06 142.59 46.44 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 109.301 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.0 mt -117.2 130.17 72.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.434 1.084 . . . . 0.0 109.373 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -79.94 142.13 14.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.516 1.135 . . . . 0.0 109.368 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.5 p -118.37 167.07 11.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.103 . . . . 0.0 108.231 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -64.6 179.55 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 109.562 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.3 118.93 10.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.563 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.6 t -81.26 132.43 31.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 109.342 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -52.28 132.02 33.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.219 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.07 59.08 1.0 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.487 1.117 . . . . 0.0 111.014 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.62 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -138.16 162.68 52.45 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.612 0.831 . . . . 0.0 109.302 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.449 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.3 Cg_endo -74.91 -54.86 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.403 1.738 . . . . 0.0 111.005 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.832 HG21 HG21 ' A' ' 66' ' ' VAL . 27.3 m -132.61 177.51 7.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 O-C-N 124.453 1.096 . . . . 0.0 109.237 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.41 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 7.4 ttt180 -103.7 152.54 21.7 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.425 1.078 . . . . 0.0 110.314 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 69' ' ' LEU . 25.4 mm -63.54 138.42 23.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.78 6.41 89.07 Favored Glycine 0 CA--C 1.529 0.909 0 O-C-N 124.422 1.076 . . . . 0.0 110.975 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.442 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -85.49 137.31 32.98 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.442 0.731 . . . . 0.0 109.288 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 2.6 ttpt -94.22 119.84 33.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 86' ' ' VAL . 30.9 m -111.93 171.96 3.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.8 ttpt -120.2 121.55 39.0 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.095 . . . . 0.0 109.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 82.3 t -66.02 114.3 3.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.732 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.7 p -60.03 140.72 90.47 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.433 1.083 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.642 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.5 Cg_endo -74.95 -49.74 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.426 1.751 . . . . 0.0 111.086 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.23 149.57 37.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.58 1.175 . . . . 0.0 109.622 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.0 t -92.82 141.78 28.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 110.013 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.8 -41.41 5.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -90.54 -59.56 2.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 109.317 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 166.51 -41.14 0.26 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.505 1.128 . . . . 0.0 111.0 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -88.25 132.49 34.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.433 0.725 . . . . 0.0 110.419 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -151.93 162.95 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.418 1.074 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.437 ' N ' HG23 ' A' ' 55' ' ' ILE . 38.2 t -104.69 118.05 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.575 1.172 . . . . 0.0 110.049 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -72.28 -28.91 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.4 ttt180 -68.99 -49.32 58.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.565 1.166 . . . . 0.0 110.431 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.46 ' HD1' HG21 ' A' ' 88' ' ' VAL . 28.2 m-85 -78.29 -19.71 53.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 111.065 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.642 HD12 ' O ' ' A' ' 48' ' ' PRO . 0.8 OUTLIER -50.18 93.05 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.408 1.068 . . . . 0.0 109.351 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 108.49 40.65 1.59 Allowed Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.444 ' HG2' HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -133.89 -177.38 4.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 0.738 . . . . 0.0 110.29 179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 17.9 m -149.28 115.4 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.551 1.157 . . . . 0.0 110.376 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.64 -176.17 14.36 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.469 1.106 . . . . 0.0 111.026 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.4 mt -113.53 150.62 15.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.467 0.745 . . . . 0.0 109.273 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.832 HG21 HG21 ' A' ' 38' ' ' VAL . 78.5 t -77.49 110.4 13.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.556 1.16 . . . . 0.0 109.282 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 66.1 t -77.83 -35.84 21.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.574 1.171 . . . . 0.0 109.252 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.403 ' O ' ' HA ' ' A' ' 84' ' ' ILE . . . -130.88 145.98 17.35 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.523 1.14 . . . . 0.0 111.022 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.926 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.0 tt -111.25 153.08 26.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.444 0.732 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.057 HG13 HG23 ' A' ' 84' ' ' ILE . 5.3 m -82.65 105.07 12.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.571 1.169 . . . . 0.0 109.217 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.862 ' CE2' HD22 ' A' ' 69' ' ' LEU . 19.9 m-85 -134.59 169.04 17.89 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 111.103 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.52 106.39 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.551 1.157 . . . . 0.0 109.384 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.44 114.19 33.47 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.283 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.404 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.93 -163.55 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.545 1.813 . . . . 0.0 110.975 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.81 -3.42 47.7 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 109.329 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -127.18 11.05 6.95 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.447 1.092 . . . . 0.0 110.382 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 2.8 mt-30 59.99 148.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.099 . . . . 0.0 110.295 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.611 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.08 154.09 12.73 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 -179.928 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.611 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.7 Cg_endo -74.88 -57.84 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.134 0 C-N-CA 121.042 -2.482 . . . . 0.0 111.041 -0.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -115.36 -28.08 7.0 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.24 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.44 160.07 69.7 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.186 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -30.07 7.68 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.51 1.795 . . . . 0.0 110.985 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.796 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -123.39 176.02 6.4 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.321 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.057 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -75.12 144.9 11.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.503 1.127 . . . . 0.0 109.286 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -136.78 134.35 36.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 110.381 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.429 ' CG2' ' CG2' ' A' ' 44' ' ' VAL . 2.3 t -105.57 133.22 50.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.37 1.043 . . . . 0.0 109.34 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.558 HD23 ' O ' ' A' ' 88' ' ' VAL . 7.1 tt -117.71 119.77 35.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.092 . . . . 0.0 109.324 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.558 ' O ' HD23 ' A' ' 87' ' ' LEU . 53.6 t -81.59 152.43 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.583 1.177 . . . . 0.0 109.343 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.14 117.01 12.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.87 -9.07 60.87 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.536 1.148 . . . . 0.0 111.02 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.527 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -102.79 -167.67 1.42 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.35 179.905 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -94.18 -159.81 34.25 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.155 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.414 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.2 pt-20 -135.27 138.14 43.22 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.511 0.771 . . . . 0.0 110.204 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.444 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.5 OUTLIER -132.45 165.75 23.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.417 1.073 . . . . 0.0 109.284 -179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.704 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -102.27 124.51 47.98 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.402 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.5 m-85 -121.06 166.68 13.54 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.576 1.173 . . . . 0.0 111.004 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 -94.98 158.02 35.64 Favored Pre-proline 0 C--N 1.323 -0.555 0 O-C-N 124.51 1.131 . . . . 0.0 111.07 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 -15.39 21.04 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.565 1.824 . . . . 0.0 111.057 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -99.2 -5.68 29.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.424 1.077 . . . . 0.0 110.256 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.732 ' O ' HG11 ' A' ' 47' ' ' VAL . 0.3 OUTLIER -87.53 -65.64 0.99 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.421 1.076 . . . . 0.0 110.256 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.511 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.0 pp -97.19 163.67 12.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -127.01 168.23 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.386 1.054 . . . . 0.0 110.275 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.413 HD12 HG12 ' A' ' 38' ' ' VAL . 1.0 OUTLIER -77.49 120.66 22.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.445 1.091 . . . . 0.0 109.264 -179.913 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -52.29 150.93 7.83 Favored Pre-proline 0 C--N 1.327 -0.407 0 O-C-N 124.37 1.044 . . . . 0.0 109.236 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.88 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.485 1.782 . . . . 0.0 111.032 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 110.314 179.932 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.4 mtt . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.483 0.182 . . . . 0.0 110.946 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 1.8 tp -40.65 154.61 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -92.56 80.2 4.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.607 1.192 . . . . 0.0 110.317 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -88.49 139.57 29.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.157 . . . . 0.0 109.251 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.96 109.63 2.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.543 1.812 . . . . 0.0 111.08 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 79.5 p -51.94 -42.46 62.86 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 110.021 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -40.81 142.66 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.242 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pp -101.88 148.56 7.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 O-C-N 124.524 1.14 . . . . 0.0 109.258 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -131.86 137.67 54.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 35.9 m -118.68 120.17 36.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 108.293 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -162.71 172.08 15.83 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.493 1.12 . . . . 0.0 109.587 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.77 124.95 48.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.458 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 29.6 t -89.26 140.39 15.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.561 1.163 . . . . 0.0 109.279 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.58 135.87 57.61 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.36 70.08 0.97 Allowed Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.554 1.159 . . . . 0.0 110.966 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.689 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -150.04 160.44 33.52 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.573 0.808 . . . . 0.0 109.214 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.1 Cg_endo -75.1 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.412 1.743 . . . . 0.0 110.956 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 66' ' ' VAL . 31.2 m -121.05 177.58 3.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.567 1.167 . . . . 0.0 109.241 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.477 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -107.96 144.23 35.53 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 110.316 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.7 mm -53.48 131.35 15.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.64 10.26 81.82 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.476 1.11 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.477 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -82.29 132.59 35.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 0.752 . . . . 0.0 109.3 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.626 ' CD ' HG22 ' A' ' 63' ' ' THR . 0.2 OUTLIER -93.37 114.71 27.2 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.546 1.154 . . . . 0.0 109.298 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.507 ' HB ' HD13 ' A' ' 101' ' ' LEU . 16.3 m -108.42 172.08 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.113 . . . . 0.0 109.307 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.9 ttpt -119.34 114.07 21.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 98.1 t -66.43 126.03 24.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.483 1.114 . . . . 0.0 109.311 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.598 HG23 HD11 ' A' ' 55' ' ' ILE . 1.7 m -55.47 161.08 3.19 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.506 1.128 . . . . 0.0 109.353 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.468 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.0 Cg_endo -75.04 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.438 1.757 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -109.11 171.8 7.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 109.618 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.417 ' N ' HG12 ' A' ' 55' ' ' ILE . 45.6 t -62.99 138.6 58.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.988 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -103.22 -35.86 8.3 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.479 1.112 . . . . 0.0 110.383 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -126.35 -56.72 1.41 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.306 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -161.68 -68.23 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.133 . . . . 0.0 110.91 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 t -60.73 133.9 56.56 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.519 0.776 . . . . 0.0 110.311 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.598 HD11 HG23 ' A' ' 47' ' ' VAL . 5.2 tp -165.33 162.16 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.422 1.076 . . . . 0.0 109.385 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 48.0 m -141.31 131.31 24.58 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 -74.36 -19.69 60.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.374 1.046 . . . . 0.0 110.315 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.449 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 9.7 mtt180 -67.86 -48.74 65.27 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 110.254 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -89.54 21.83 3.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.468 HD12 ' O ' ' A' ' 48' ' ' PRO . 3.0 tt -66.69 91.04 0.18 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.353 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 89.54 36.85 7.23 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.533 1.146 . . . . 0.0 110.961 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -110.84 -176.28 2.93 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 0.0 110.328 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.626 HG22 ' CD ' ' A' ' 43' ' ' LYS . 36.6 m -147.9 122.84 10.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 1.11 . . . . 0.0 110.394 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.402 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -136.63 -177.87 15.35 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.448 1.092 . . . . 0.0 110.989 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.7 mt -115.01 157.06 15.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.484 0.755 . . . . 0.0 109.315 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.696 HG21 HG21 ' A' ' 38' ' ' VAL . 43.2 t -87.22 105.06 14.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.383 179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.3 t -72.95 -30.46 32.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.255 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.455 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -135.01 136.86 8.81 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.416 1.073 . . . . 0.0 111.021 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.966 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.7 tt -100.93 161.87 13.29 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.55 0.794 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.966 ' N ' HD23 ' A' ' 69' ' ' LEU . 4.8 m -90.83 103.89 14.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.293 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.805 ' CE2' HD22 ' A' ' 69' ' ' LEU . 5.3 m-85 -135.71 169.03 18.18 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 110.999 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -42.48 106.45 0.06 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.327 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.37 120.33 80.88 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.586 1.179 . . . . 0.0 109.311 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -164.82 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.484 1.781 . . . . 0.0 110.919 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -80.16 -0.36 35.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 77' ' ' GLN . 12.5 t -130.22 11.13 5.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.579 1.174 . . . . 0.0 110.47 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 76' ' ' THR . 21.4 mt-30 59.55 150.79 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.521 1.138 . . . . 0.0 110.288 -179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.597 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.72 155.75 13.07 Favored Pre-proline 0 C--N 1.326 -0.42 0 O-C-N 124.475 1.11 . . . . 0.0 110.939 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.578 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -74.99 -57.18 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.122 0 C-N-CA 121.001 -2.499 . . . . 0.0 110.988 -0.099 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -113.64 -27.71 7.74 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.41 1.068 . . . . 0.0 109.302 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -132.5 166.94 25.2 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -48.8 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.45 1.763 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.879 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.2 tp -105.19 176.43 5.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.797 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -74.57 144.7 12.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.571 1.169 . . . . 0.0 109.359 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.588 ' HB3' HD23 ' A' ' 95' ' ' LEU . 18.5 pt20 -137.03 128.31 28.09 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.368 1.043 . . . . 0.0 110.254 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.402 HG13 ' HA3' ' A' ' 64' ' ' GLY . 2.6 t -96.17 139.81 18.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.493 HD23 ' O ' ' A' ' 88' ' ' VAL . 6.6 tt -125.18 127.12 46.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 109.336 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.503 HG11 HD13 ' A' ' 91' ' ' LEU . 42.8 t -96.38 152.95 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -69.01 122.02 17.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.25 5.32 76.42 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.521 1.138 . . . . 0.0 110.987 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.503 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -115.99 -166.92 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 0.757 . . . . 0.0 109.352 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.54 -158.85 30.77 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.503 1.127 . . . . 0.0 111.03 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -141.3 133.24 27.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 0.735 . . . . 0.0 110.334 179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -130.14 166.48 20.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.35 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.588 HD23 ' HB3' ' A' ' 85' ' ' GLN . 0.3 OUTLIER -101.65 128.23 48.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.284 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -125.99 170.23 11.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.411 1.07 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -98.1 158.71 32.32 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.534 1.146 . . . . 0.0 110.949 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.465 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.09 -17.02 19.68 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.547 1.814 . . . . 0.0 110.986 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -99.5 -8.57 24.45 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 110.271 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.07 -65.99 0.94 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.353 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.57 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.0 pp -97.03 154.72 17.15 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.205 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -109.97 168.22 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.461 1.101 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.8 tt -82.43 124.45 30.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.444 1.09 . . . . 0.0 109.323 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.65 154.67 24.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.22 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.58 1.832 . . . . 0.0 111.055 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 110.325 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.544 0.211 . . . . 0.0 110.945 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.492 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -41.54 113.28 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 109.257 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -82.97 -171.63 3.67 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.603 1.189 . . . . 0.0 110.236 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -40.5 153.69 0.21 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.372 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 176.85 9.38 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.499 1.789 . . . . 0.0 111.052 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 21.7 t -55.91 -28.17 55.5 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.552 1.158 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.01 129.69 3.57 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -88.9 128.6 40.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 109.248 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.728 HD13 ' N ' ' A' ' 30' ' ' CYS . 0.0 OUTLIER -100.66 115.99 43.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.728 ' N ' HD13 ' A' ' 29' ' ' ILE . 0.0 OUTLIER -113.48 141.61 46.91 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 108.318 179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -76.37 -179.91 5.43 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.468 1.105 . . . . 0.0 109.67 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.89 171.19 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.452 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 95.0 t -128.85 135.06 63.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 109.346 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -53.68 144.36 18.01 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 109.222 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 106.93 -37.03 4.03 Favored Glycine 0 CA--C 1.528 0.887 0 O-C-N 124.439 1.087 . . . . 0.0 110.96 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.753 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -42.14 160.07 0.18 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.422 0.719 . . . . 0.0 109.346 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -75.01 -54.37 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.477 1.777 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 66' ' ' VAL . 25.1 m -124.4 177.41 4.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.442 1.089 . . . . 0.0 109.257 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.464 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -110.67 141.86 43.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.282 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.59 HD11 ' HB2' ' A' ' 69' ' ' LEU . 27.4 mm -53.54 138.69 12.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.264 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.35 22.6 75.56 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.52 1.138 . . . . 0.0 110.987 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.464 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -98.39 133.54 42.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.498 ' HE2' HG22 ' A' ' 63' ' ' THR . 13.2 tttt -93.55 117.0 29.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 0.0 109.245 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 27.4 m -113.96 171.9 3.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.473 1.108 . . . . 0.0 109.321 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -117.8 117.21 28.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.44 ' CG2' HG11 ' A' ' 86' ' ' VAL . 97.4 t -67.62 114.87 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -55.29 160.73 3.23 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.599 1.187 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -53.33 0.1 OUTLIER 'Trans proline' 0 C--N 1.362 1.242 0 O-C-N 124.506 1.793 . . . . 0.0 110.951 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 31.1 m80 -117.62 130.35 56.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.586 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.4 t -71.43 165.39 23.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.04 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -114.06 -16.37 12.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 110.27 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -98.06 -68.01 0.82 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -177.51 -53.49 0.07 OUTLIER Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.426 HG22 ' OE2' ' A' ' 100' ' ' GLU . 12.0 t -58.91 139.02 57.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 0.768 . . . . 0.0 110.374 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 55' ' ' ILE . 6.4 tp -169.03 165.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.337 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.2 t -139.66 117.91 11.99 Favored 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.588 1.18 . . . . 0.0 110.119 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -69.38 -7.86 41.31 Favored 'General case' 0 C--N 1.323 -0.586 0 O-C-N 124.516 1.135 . . . . 0.0 110.303 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.5 -48.02 10.73 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.48 1.112 . . . . 0.0 110.39 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -89.53 13.99 12.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.9 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 tt -62.41 94.33 0.06 Allowed 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 90.07 34.1 8.44 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.585 1.178 . . . . 0.0 111.058 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.33 173.42 6.35 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.594 0.82 . . . . 0.0 110.306 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.498 HG22 ' HE2' ' A' ' 43' ' ' LYS . 2.8 m -134.98 112.32 10.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.408 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.42 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -128.37 -179.57 15.97 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.496 1.122 . . . . 0.0 111.044 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.405 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.9 mt -113.09 158.46 13.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.434 0.726 . . . . 0.0 109.347 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.758 HG21 HG21 ' A' ' 38' ' ' VAL . 60.6 t -85.19 114.17 24.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.478 1.111 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 96.1 t -79.14 -38.81 20.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.583 1.177 . . . . 0.0 109.243 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.19 147.38 18.48 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.994 HD22 ' CE2' ' A' ' 71' ' ' PHE . 5.9 tt -108.69 158.28 17.75 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 0.75 . . . . 0.0 109.237 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.073 HG13 HG23 ' A' ' 84' ' ' ILE . 13.0 m -90.03 105.55 16.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.994 ' CE2' HD22 ' A' ' 69' ' ' LEU . 31.9 m-85 -134.19 169.14 17.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 110.925 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 29.7 p-10 -42.43 106.44 0.06 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.97 113.49 18.03 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.419 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.87 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.52 1.8 . . . . 0.0 111.033 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -83.91 -2.73 57.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.1 t -128.93 13.28 6.28 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 110.372 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.25 147.37 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.595 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -164.41 153.25 11.41 Favored Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.58 1.175 . . . . 0.0 111.059 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.595 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.03 -57.77 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.1 0 C-N-CA 121.011 -2.495 . . . . 0.0 110.987 -0.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -116.11 -28.34 6.63 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.256 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.443 ' OD2' ' NE2' ' A' ' 85' ' ' GLN . 1.6 m-20 -132.56 166.04 31.92 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -47.29 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.553 1.817 . . . . 0.0 111.042 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.923 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.8 tp -109.61 175.79 5.32 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.073 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -75.59 145.55 10.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.443 ' NE2' ' OD2' ' A' ' 81' ' ' ASP . 1.4 pt20 -135.5 143.12 45.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.44 1.087 . . . . 0.0 110.38 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.44 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.1 t -109.14 143.04 20.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.131 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 8.9 tt -132.89 120.89 22.08 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.481 1.113 . . . . 0.0 109.377 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 35.5 t -91.37 151.73 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.271 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.33 121.15 15.67 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.603 1.19 . . . . 0.0 110.376 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 83.66 -10.3 59.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.454 1.096 . . . . 0.0 110.963 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.63 -166.32 1.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 0.775 . . . . 0.0 109.259 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.52 -147.28 21.42 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.421 1.076 . . . . 0.0 110.976 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -145.85 145.78 30.88 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 0.78 . . . . 0.0 110.345 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 0.7 OUTLIER -140.38 166.54 24.41 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.435 1.084 . . . . 0.0 109.264 -179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.701 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -101.83 133.27 46.85 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.581 1.176 . . . . 0.0 109.28 179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -133.04 170.43 15.39 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.422 1.077 . . . . 0.0 110.958 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 49.8 m-85 -97.76 158.92 32.15 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.0 Cg_endo -75.06 -20.05 17.11 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.447 1.761 . . . . 0.0 110.986 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.4 2.53 45.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 110.321 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.426 ' OE2' HG22 ' A' ' 54' ' ' THR . 9.2 mt-10 -93.96 -61.28 1.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.429 1.081 . . . . 0.0 110.322 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.462 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.3 pp -97.03 159.28 15.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -124.38 168.49 12.95 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 0.0 110.315 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.21 126.04 30.29 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.26 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -61.04 153.77 64.46 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.489 1.118 . . . . 0.0 109.332 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.12 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.494 1.786 . . . . 0.0 110.889 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 34.4 mt-10 . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.569 1.168 . . . . 0.0 110.259 -179.933 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.244 0 CA-C-O 120.55 0.214 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.8 tp -135.33 147.76 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.269 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.9 141.21 45.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 0.0 110.261 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -117.49 86.06 21.93 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 111.01 3.23 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.447 1.762 . . . . 0.0 110.993 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 77.2 p -111.8 -51.03 2.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.055 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.3 mp -64.71 169.76 4.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 0.0 109.314 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.33 133.89 61.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.439 1.087 . . . . 0.0 109.303 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.4 pt -75.65 145.72 10.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.33 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 28.1 p -120.97 136.94 54.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 108.302 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -157.03 175.34 14.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.412 1.07 . . . . 0.0 109.702 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.07 148.82 21.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.373 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.51 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 49.9 t -101.9 149.42 6.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.571 1.169 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -53.47 131.12 37.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.273 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.99 83.05 1.23 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.553 1.158 . . . . 0.0 110.976 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.61 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -159.29 155.88 24.63 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 0.766 . . . . 0.0 109.368 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -60.03 0.04 OUTLIER 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.511 1.795 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.578 ' O ' HD11 ' A' ' 69' ' ' LEU . 17.2 m -129.77 177.47 6.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.244 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -101.14 157.64 16.62 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.575 1.172 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.1 mm -63.0 143.19 15.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.47 1.106 . . . . 0.0 109.347 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.03 10.24 84.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.525 1.141 . . . . 0.0 111.018 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -83.72 141.56 31.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.419 0.717 . . . . 0.0 109.318 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HB2' ' CD1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -97.68 118.08 33.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 109.275 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.67 ' HB ' HD13 ' A' ' 101' ' ' LEU . 28.3 m -110.69 169.92 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 1.1 ttpt -117.98 116.18 26.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.345 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 79.9 t -65.92 119.44 10.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.575 HG22 ' H ' ' A' ' 49' ' ' HIS . 13.2 p -62.5 121.45 67.25 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.641 1.213 . . . . 0.0 109.326 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -5.88 17.33 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.071 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.575 ' H ' HG22 ' A' ' 47' ' ' VAL . 85.8 t60 -111.39 143.77 41.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.458 1.099 . . . . 0.0 109.55 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -97.15 134.86 39.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.135 . . . . 0.0 110.071 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -112.96 -45.14 3.21 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.558 1.161 . . . . 0.0 110.286 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -88.43 -69.76 0.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.497 1.123 . . . . 0.0 109.273 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.5 -51.14 0.09 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.128 . . . . 0.0 111.024 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.2 t -65.75 134.07 52.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 0.749 . . . . 0.0 110.429 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.431 HD13 ' H ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -166.25 161.82 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.481 1.113 . . . . 0.0 109.254 179.928 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.431 ' H ' HD13 ' A' ' 55' ' ' ILE . 26.9 t -126.69 116.1 20.46 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.474 1.109 . . . . 0.0 109.937 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 60' ' ' LEU . 57.7 tt0 -60.35 -39.26 86.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.411 1.069 . . . . 0.0 110.29 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 15.3 mtt-85 -53.2 -49.58 66.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.56 1.163 . . . . 0.0 110.294 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -89.13 19.35 4.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' CB ' ' O ' ' A' ' 57' ' ' GLN . 7.8 tp -54.72 99.71 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.298 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.57 48.95 67.62 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.491 1.12 . . . . 0.0 110.923 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -106.7 -179.76 4.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 0.783 . . . . 0.0 110.22 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -136.72 115.73 12.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.41 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -137.11 176.02 20.76 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.153 . . . . 0.0 111.013 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.448 ' CD1' ' HB2' ' A' ' 43' ' ' LYS . 1.4 mm -103.22 156.94 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 0.784 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.561 HG21 HG21 ' A' ' 38' ' ' VAL . 24.6 t -88.5 112.52 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.421 1.076 . . . . 0.0 109.324 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 79.8 t -79.57 -32.72 14.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.578 1.174 . . . . 0.0 109.366 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.494 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -130.9 146.05 17.42 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.465 1.103 . . . . 0.0 111.039 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.954 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.1 tt -110.46 156.51 20.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 0.792 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.051 HG13 HG23 ' A' ' 84' ' ' ILE . 18.0 m -87.3 106.74 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.938 ' CE2' HD22 ' A' ' 69' ' ' LEU . 29.9 m-85 -134.39 169.09 17.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 111.026 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -42.45 106.96 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.304 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.451 ' OD1' ' HA ' ' A' ' 82' ' ' PRO . 1.2 m-20 -78.58 114.68 45.4 Favored Pre-proline 0 C--N 1.323 -0.578 0 O-C-N 124.559 1.162 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -163.81 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.541 1.811 . . . . 0.0 111.008 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.03 -3.1 37.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.291 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.0 t -126.91 9.15 6.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.592 1.182 . . . . 0.0 110.354 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 59.3 152.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.147 . . . . 0.0 110.214 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.601 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.52 154.17 12.08 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.585 1.178 . . . . 0.0 111.047 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.563 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.96 -57.85 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.162 0 C-N-CA 120.982 -2.507 . . . . 0.0 111.014 -0.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.39 -27.95 7.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.216 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.451 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -130.4 156.47 79.48 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.206 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.451 ' HA ' ' OD1' ' A' ' 73' ' ' ASP . 18.2 Cg_endo -74.94 -19.02 18.4 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.448 1.762 . . . . 0.0 110.932 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.813 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.5 pt? -131.03 175.8 8.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.56 1.162 . . . . 0.0 109.298 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.051 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.48 144.82 11.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 8.1 pt20 -130.87 133.73 46.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.367 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.542 HG21 ' CG2' ' A' ' 44' ' ' VAL . 2.2 t -105.01 147.37 10.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.571 1.169 . . . . 0.0 109.272 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.534 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.9 tt -134.81 118.35 16.92 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 44.3 t -89.39 150.54 3.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.54 1.15 . . . . 0.0 109.351 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -69.12 130.27 42.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 73.78 1.92 59.84 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.614 1.196 . . . . 0.0 111.027 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.56 -165.63 1.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.557 0.798 . . . . 0.0 109.302 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.78 -153.16 28.21 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.503 1.127 . . . . 0.0 110.989 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.534 ' HB3' HD12 ' A' ' 87' ' ' LEU . 4.7 pt-20 -140.91 136.94 32.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 0.752 . . . . 0.0 110.335 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.571 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.5 OUTLIER -134.81 164.63 27.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.591 1.182 . . . . 0.0 109.24 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.432 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -103.38 127.22 50.79 Favored 'General case' 0 C--N 1.323 -0.553 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.571 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 91.4 m-85 -124.23 170.35 10.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 15.0 m-85 -96.03 158.26 34.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.098 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -17.72 19.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.457 1.767 . . . . 0.0 111.008 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -99.11 -6.92 27.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.452 1.095 . . . . 0.0 110.28 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -85.97 -62.48 1.51 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.67 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.5 pp -97.22 167.78 10.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.108 . . . . 0.0 109.325 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -128.26 168.31 15.67 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.435 1.084 . . . . 0.0 110.325 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.535 HD12 HG12 ' A' ' 44' ' ' VAL . 6.8 tp -77.54 131.42 37.87 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.463 1.102 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.32 154.4 84.16 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.357 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -54.72 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.473 1.775 . . . . 0.0 110.994 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.103 . . . . 0.0 110.2 -179.964 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 CA-C-O 120.537 0.208 . . . . 0.0 110.985 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -112.96 136.77 48.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.29 146.58 26.45 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.417 1.073 . . . . 0.0 110.285 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.87 127.93 50.08 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.527 1.142 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 123.09 7.61 Favored 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.418 1.746 . . . . 0.0 110.935 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.5 t -92.94 -43.42 8.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.062 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.69 -81.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.562 1.163 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 11.3 mt -102.32 122.23 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.306 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.7 pp -80.38 139.66 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 0.0 109.245 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.0 p -105.07 149.84 25.49 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 108.362 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 10.3 m170 -104.88 177.43 4.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.081 . . . . 0.0 109.652 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -66.04 138.04 57.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.133 . . . . 0.0 109.376 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.569 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 46.8 t -78.33 146.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 -66.44 131.33 45.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.598 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 95.69 90.04 1.77 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.567 1.167 . . . . 0.0 110.921 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.946 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -166.24 162.28 12.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.582 0.813 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.468 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -75.06 -45.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.39 1.731 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.951 HG21 HG21 ' A' ' 66' ' ' VAL . 15.7 m -130.06 177.3 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.382 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.484 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.7 OUTLIER -109.77 140.99 43.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.312 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.683 HD11 ' HB2' ' A' ' 69' ' ' LEU . 28.2 mm -55.63 132.55 19.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.441 1.088 . . . . 0.0 109.349 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.61 17.89 79.5 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.541 1.15 . . . . 0.0 111.009 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.484 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -92.66 143.94 25.81 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 0.772 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.4 tttt -93.56 116.04 28.54 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.228 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.768 HG12 HD12 ' A' ' 103' ' ' LEU . 31.4 m -114.87 171.82 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.427 1.08 . . . . 0.0 109.442 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 17.1 ttpt -120.73 119.63 33.31 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.135 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.462 ' CG2' HG11 ' A' ' 86' ' ' VAL . 53.7 t -67.14 117.19 7.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.386 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.425 ' H ' HG12 ' A' ' 47' ' ' VAL . 1.5 p -55.36 128.82 68.01 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.511 ' HA ' HD12 ' A' ' 60' ' ' LEU . 18.4 Cg_endo -74.98 -46.32 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.489 1.784 . . . . 0.0 110.997 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -56.04 144.01 30.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.475 1.109 . . . . 0.0 109.641 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -112.07 90.22 3.28 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.548 1.155 . . . . 0.0 110.025 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.72 -42.31 6.91 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.297 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.06 -176.59 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.12 -67.86 1.74 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.494 1.121 . . . . 0.0 110.929 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.85 142.48 53.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 0.748 . . . . 0.0 110.397 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 55' ' ' ILE . 3.1 tp -165.67 166.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.453 1.095 . . . . 0.0 109.273 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.6 t -145.8 114.93 7.03 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 110.054 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -75.96 -13.72 60.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 110.275 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.752 ' HG2' HD21 ' A' ' 91' ' ' LEU . 0.5 OUTLIER -81.55 -29.98 33.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 37.9 m-85 -103.5 13.32 33.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.39 1.056 . . . . 0.0 110.934 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.511 HD12 ' HA ' ' A' ' 48' ' ' PRO . 4.8 tp -60.03 116.1 3.92 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 64.08 32.37 83.94 Favored Glycine 0 CA--C 1.531 1.079 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.411 ' C ' ' HG1' ' A' ' 63' ' ' THR . 0.4 OUTLIER -99.62 -171.49 2.07 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.525 0.78 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.493 ' HG1' ' HG3' ' A' ' 45' ' ' LYS . 9.1 m -156.52 120.11 4.28 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.452 1.095 . . . . 0.0 110.505 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.76 -165.46 10.67 Favored Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.499 1.124 . . . . 0.0 110.951 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.2 mt -124.21 151.01 29.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.41 0.712 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.951 HG21 HG21 ' A' ' 38' ' ' VAL . 40.4 t -80.66 113.88 20.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.51 1.131 . . . . 0.0 109.336 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 72.3 t -74.57 -39.36 47.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 O-C-N 124.534 1.146 . . . . 0.0 109.25 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -137.29 151.22 21.02 Favored Glycine 0 CA--C 1.532 1.104 0 O-C-N 124.48 1.113 . . . . 0.0 111.047 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.946 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -98.82 176.46 5.6 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.599 0.823 . . . . 0.0 109.331 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.11 HG13 HG23 ' A' ' 84' ' ' ILE . 4.3 m -115.94 104.81 17.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.636 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -135.13 169.7 17.04 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.389 1.056 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -41.88 106.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.436 1.085 . . . . 0.0 109.353 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -76.49 116.77 59.4 Favored Pre-proline 0 C--N 1.326 -0.427 0 O-C-N 124.451 1.095 . . . . 0.0 109.259 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.422 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.2 Cg_endo -74.95 -162.02 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.489 1.783 . . . . 0.0 110.945 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.25 -1.75 28.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 11.6 t -128.31 7.49 5.92 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.57 1.169 . . . . 0.0 110.41 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.422 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 2.1 mt-30 58.7 154.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.59 1.181 . . . . 0.0 110.3 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.2 OUTLIER -164.52 153.67 11.62 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 111.066 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -59.98 0.1 OUTLIER 'Cis proline' 0 C--N 1.361 1.196 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.972 -0.069 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -119.45 -28.99 5.23 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -121.75 160.3 47.26 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.06 5.73 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.514 1.797 . . . . 0.0 111.008 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.783 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 tp -129.99 175.54 8.79 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.51 1.131 . . . . 0.0 109.389 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.11 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -75.52 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.482 1.114 . . . . 0.0 109.33 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -132.85 133.31 43.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.416 1.073 . . . . 0.0 110.249 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.4 t -103.76 136.1 38.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 109.256 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.477 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.3 tt -123.94 122.59 38.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.308 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 53.1 t -94.65 151.44 3.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.512 1.133 . . . . 0.0 109.285 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -68.35 126.34 29.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 110.291 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.88 -1.34 63.17 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.481 1.113 . . . . 0.0 111.033 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.752 HD21 ' HG2' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -112.83 -168.07 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.606 0.827 . . . . 0.0 109.353 179.885 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.72 -150.09 26.0 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.494 1.121 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.477 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.1 pt-20 -142.76 143.22 32.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.497 0.763 . . . . 0.0 110.341 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.7 t70 -142.04 165.45 27.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.358 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.5 OUTLIER -103.6 132.28 50.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 109.365 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.402 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 98.1 m-85 -126.47 169.94 12.5 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 111.008 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -93.39 157.82 38.02 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 111.022 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.468 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -20.94 16.33 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.999 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -99.08 5.56 46.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -96.74 -61.37 1.42 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.38 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.516 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.9 pp -97.12 166.38 11.61 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.564 1.165 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -128.98 168.35 16.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 110.239 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.768 HD12 HG12 ' A' ' 44' ' ' VAL . 3.8 tp -77.5 131.76 38.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.307 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.01 152.58 90.81 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -75.05 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.416 1.745 . . . . 0.0 110.963 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.114 . . . . 0.0 110.337 179.966 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 tmm? . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.487 0.184 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.519 HG23 ' O ' ' A' ' 22' ' ' ILE . 2.9 tp -153.19 44.64 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.426 1.079 . . . . 0.0 109.263 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -109.95 46.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.431 1.082 . . . . 0.0 110.309 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.01 144.81 98.71 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 109.14 2.87 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.588 1.836 . . . . 0.0 111.029 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.6 m -104.13 -43.45 5.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.942 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.467 ' HB3' ' CD1' ' A' ' 29' ' ' ILE . 9.3 mp -73.07 131.28 41.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.355 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.535 ' C ' HD12 ' A' ' 29' ' ' ILE . 10.1 mm -106.18 112.88 41.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.266 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.535 HD12 ' C ' ' A' ' 28' ' ' ILE . 5.1 mp -144.17 121.81 5.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 2.1 t -130.6 156.17 45.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.561 1.163 . . . . 0.0 108.279 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 5.4 m170 -142.36 171.0 14.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.588 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -63.48 145.43 55.65 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.158 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.492 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 98.8 t -118.35 135.37 58.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.91 125.3 22.99 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.533 1.146 . . . . 0.0 109.405 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 107.82 65.27 0.59 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.532 1.145 . . . . 0.0 110.95 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.596 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . . . -147.34 159.34 42.26 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.566 0.804 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.05 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.505 1.792 . . . . 0.0 110.959 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.539 ' O ' HD11 ' A' ' 69' ' ' LEU . 22.2 m -131.96 177.74 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.578 1.174 . . . . 0.0 109.288 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -99.38 148.4 24.24 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.456 1.097 . . . . 0.0 110.353 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.5 mm -59.37 137.99 21.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.17 17.01 73.58 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -81.84 145.07 30.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 0.723 . . . . 0.0 109.372 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -93.43 109.43 21.01 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.571 1.169 . . . . 0.0 109.317 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.407 HG12 ' HA ' ' A' ' 103' ' ' LEU . 26.8 m -109.75 171.9 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.3 ttpt -126.43 119.78 28.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 0.0 109.265 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 76.4 t -65.97 133.48 30.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.506 1.129 . . . . 0.0 109.211 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.882 ' O ' HD11 ' A' ' 55' ' ' ILE . 3.4 p -70.35 136.25 86.5 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.214 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.492 ' HA ' HD12 ' A' ' 60' ' ' LEU . 18.2 Cg_endo -74.99 -36.95 2.26 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.525 1.803 . . . . 0.0 111.09 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.44 ' O ' HG22 ' A' ' 47' ' ' VAL . 5.5 m170 -91.13 158.37 16.68 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.457 1.098 . . . . 0.0 109.586 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 9.2 t -117.3 125.49 51.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -111.91 -45.48 3.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.367 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 53' ' ' GLY . 4.1 t70 -71.63 -91.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.41 ' N ' ' CG ' ' A' ' 52' ' ' ASP . . . -175.87 33.82 0.09 OUTLIER Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.551 1.157 . . . . 0.0 111.009 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -149.88 134.26 17.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 110.431 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.882 HD11 ' O ' ' A' ' 47' ' ' VAL . 8.1 tp -171.66 158.65 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 109.231 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 47.6 t -136.91 118.38 14.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.559 1.162 . . . . 0.0 109.979 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.68 -32.32 71.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.423 1.077 . . . . 0.0 110.296 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.411 ' HD3' HD23 ' A' ' 91' ' ' LEU . 0.3 OUTLIER -62.02 -35.89 79.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.311 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.427 ' CE1' HD22 ' A' ' 91' ' ' LEU . 28.5 m-85 -101.3 18.69 19.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.982 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.492 HD12 ' HA ' ' A' ' 48' ' ' PRO . 12.7 tp -60.07 110.1 1.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.315 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.86 28.39 73.47 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.389 1.056 . . . . 0.0 110.992 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.68 172.4 8.52 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 0.741 . . . . 0.0 110.312 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.0 m -141.01 115.05 9.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 110.392 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -130.72 -179.33 16.0 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.499 1.124 . . . . 0.0 111.035 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 mt -111.48 154.45 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.546 0.791 . . . . 0.0 109.276 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.463 HG21 HG21 ' A' ' 38' ' ' VAL . 58.9 t -89.41 105.4 15.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 124.485 1.116 . . . . 0.0 109.26 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.519 HG12 ' HG3' ' A' ' 85' ' ' GLN . 8.9 p -77.42 -23.17 14.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.388 1.055 . . . . 0.0 109.23 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.459 ' O ' ' CG1' ' A' ' 66' ' ' VAL . . . -135.79 134.99 7.54 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.432 1.083 . . . . 0.0 111.009 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.008 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.1 tt -107.4 158.24 17.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 0.8 . . . . 0.0 109.325 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.05 HG13 HG23 ' A' ' 84' ' ' ILE . 18.8 m -88.72 104.99 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 109.36 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.783 ' CD2' HD22 ' A' ' 69' ' ' LEU . 5.8 m-85 -134.68 169.16 17.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.36 106.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.525 1.141 . . . . 0.0 109.363 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -74.94 116.64 55.93 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.257 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.452 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.91 -163.91 0.21 Allowed 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.546 1.814 . . . . 0.0 111.041 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.99 -7.24 58.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.256 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.557 ' O ' HG22 ' A' ' 76' ' ' THR . 4.8 m -123.51 12.16 9.31 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.582 1.176 . . . . 0.0 110.44 179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.406 ' O ' ' O ' ' A' ' 76' ' ' THR . 2.7 mt-30 59.79 149.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.57 1.169 . . . . 0.0 110.29 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.592 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.7 154.75 12.27 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.468 1.105 . . . . 0.0 111.028 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.565 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -58.2 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.125 0 C-N-CA 121.059 -2.475 . . . . 0.0 110.958 -0.056 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -115.95 -28.0 6.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.345 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -132.47 163.99 46.67 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 109.256 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -53.48 0.1 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.532 1.806 . . . . 0.0 110.95 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.887 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.7 pt? -100.55 175.92 5.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 109.305 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.05 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.29 144.58 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.348 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' A' ' 67' ' ' VAL . 3.4 pt20 -137.09 130.11 30.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.353 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.45 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -99.0 146.99 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.424 1.078 . . . . 0.0 109.268 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.5 tt -134.09 117.63 16.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.343 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.45 HG11 HD13 ' A' ' 91' ' ' LEU . 47.3 t -85.54 152.64 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.457 1.098 . . . . 0.0 109.223 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -69.24 133.63 48.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.534 1.146 . . . . 0.0 110.315 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 64.13 11.15 44.33 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.375 1.047 . . . . 0.0 110.988 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.45 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -121.16 -165.49 1.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.398 0.705 . . . . 0.0 109.266 179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.78 -155.02 30.41 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.643 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.4 pt-20 -142.58 134.12 26.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 0.805 . . . . 0.0 110.335 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.412 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 2.0 t70 -132.31 166.65 21.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 109.279 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.548 HD22 HD21 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -101.79 130.54 48.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.224 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.942 ' HB3' HD11 ' A' ' 101' ' ' LEU . 92.7 m-85 -126.34 162.35 25.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 111.047 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -91.28 159.74 38.71 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 111.041 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -17.2 19.63 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.523 1.802 . . . . 0.0 111.013 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -99.85 -0.94 38.68 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.492 1.12 . . . . 0.0 110.215 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.684 ' HB3' HD13 ' A' ' 101' ' ' LEU . 3.4 mm-40 -83.59 -70.25 0.58 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 110.287 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.942 HD11 ' HB3' ' A' ' 96' ' ' PHE . 0.0 OUTLIER -100.27 168.98 9.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 109.203 -179.869 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -118.05 160.75 20.97 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.559 1.162 . . . . 0.0 110.228 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 104' ' ' ALA . 2.5 tt -80.55 126.42 31.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.159 . . . . 0.0 109.255 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.54 ' N ' HD23 ' A' ' 103' ' ' LEU . . . -74.1 147.19 85.61 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.122 . . . . 0.0 109.349 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -54.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.542 1.812 . . . . 0.0 110.978 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.46 1.1 . . . . 0.0 110.337 179.99 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.479 0.18 . . . . 0.0 110.998 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.65 HD13 ' N ' ' A' ' 23' ' ' GLN . 0.2 OUTLIER -174.61 124.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.65 ' N ' HD13 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -121.37 162.05 21.05 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -129.03 144.82 54.14 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.627 1.205 . . . . 0.0 109.265 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 158.7 41.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.458 1.767 . . . . 0.0 111.05 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 67.8 m -39.51 -40.44 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 110.067 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 mt -49.6 114.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.307 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.2 pt -104.72 145.83 12.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.314 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.3 mp -138.31 147.62 25.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 0.0 109.321 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 8.8 m -119.6 160.38 22.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.599 1.187 . . . . 0.0 108.276 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -103.36 175.97 5.3 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.636 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -88.38 132.49 34.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 109.243 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 26.9 t -84.84 151.74 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -69.43 140.94 54.14 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.512 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 85.7 88.92 0.93 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.516 1.135 . . . . 0.0 110.997 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.88 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.59 159.2 13.56 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.584 0.814 . . . . 0.0 109.294 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.437 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.99 -52.29 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.545 1.813 . . . . 0.0 111.002 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 66' ' ' VAL . 11.7 m -124.49 177.51 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.242 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.497 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -112.25 144.13 42.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.264 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.798 HD11 ' HB2' ' A' ' 69' ' ' LEU . 41.9 mm -56.14 130.45 18.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.266 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 76.38 17.32 80.04 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.553 1.158 . . . . 0.0 110.941 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.81 142.81 27.37 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.522 0.778 . . . . 0.0 109.348 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 22.8 tttt -93.47 123.86 37.07 Favored 'General case' 0 C--N 1.323 -0.573 0 O-C-N 124.598 1.186 . . . . 0.0 109.279 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.651 HG12 ' HA ' ' A' ' 103' ' ' LEU . 18.9 m -126.64 172.38 13.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.46 1.1 . . . . 0.0 109.306 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 8.3 ttpt -117.76 121.45 40.86 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.475 1.11 . . . . 0.0 109.308 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 55.2 t -66.08 120.01 12.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.557 1.161 . . . . 0.0 109.322 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG11 ' C ' ' A' ' 100' ' ' GLU . 2.1 p -60.97 130.78 91.46 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 47' ' ' VAL . 18.2 Cg_endo -75.04 -41.65 0.62 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.524 1.802 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -64.94 140.97 58.92 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.508 1.13 . . . . 0.0 109.534 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 22.1 t -95.98 109.28 21.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.933 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -108.29 -44.71 4.07 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.441 1.088 . . . . 0.0 110.273 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.69 159.77 14.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -51.32 -37.39 39.05 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.507 1.13 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -81.04 132.54 35.37 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 0.774 . . . . 0.0 110.403 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.484 HD12 ' HA ' ' A' ' 55' ' ' ILE . 3.2 tp -161.32 165.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.23 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.7 t -145.87 120.36 9.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.965 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 13.2 tp60 -79.19 -18.08 53.68 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.53 1.144 . . . . 0.0 110.347 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -72.68 -46.25 54.78 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.471 1.107 . . . . 0.0 110.222 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.451 ' O ' ' N ' ' A' ' 61' ' ' GLY . 44.1 m-85 -83.74 -11.8 56.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.21 93.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.468 1.105 . . . . 0.0 109.284 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 99.87 46.02 1.98 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.405 1.065 . . . . 0.0 111.028 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.41 ' HB3' HG21 ' A' ' 88' ' ' VAL . 0.2 OUTLIER -135.23 -168.4 2.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 110.335 179.921 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.536 HG23 ' O ' ' A' ' 44' ' ' VAL . 76.8 m -156.6 115.94 3.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.332 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -128.5 -176.46 14.45 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.508 1.13 . . . . 0.0 110.964 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.5 mt -113.01 152.04 14.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.468 0.746 . . . . 0.0 109.263 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.905 HG21 HG21 ' A' ' 38' ' ' VAL . 38.5 t -89.27 116.65 31.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.599 1.187 . . . . 0.0 109.327 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 97.3 t -73.44 -60.37 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.586 1.178 . . . . 0.0 109.265 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -108.0 156.05 15.97 Favored Glycine 0 CA--C 1.532 1.097 0 O-C-N 124.571 1.169 . . . . 0.0 110.984 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.88 HD21 ' HB1' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -106.13 174.31 5.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.567 0.804 . . . . 0.0 109.288 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.668 HG12 ' HA ' ' A' ' 83' ' ' LEU . 0.6 OUTLIER -110.3 103.02 14.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.545 1.153 . . . . 0.0 109.318 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.739 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -136.93 169.41 17.82 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.451 1.094 . . . . 0.0 111.041 -179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -42.11 106.07 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.379 1.049 . . . . 0.0 109.302 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 7.8 p30 -68.59 114.11 20.09 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -162.33 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.526 1.803 . . . . 0.0 110.996 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -86.46 -0.1 55.31 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.1 t -129.56 9.71 5.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.672 1.232 . . . . 0.0 110.309 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 60.29 148.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 1.132 . . . . 0.0 110.351 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.584 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.74 154.62 12.09 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 110.956 -179.946 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.575 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 17.9 Cg_endo -75.06 -59.36 0.12 OUTLIER 'Cis proline' 0 C--N 1.361 1.218 0 C-N-CA 121.008 -2.497 . . . . 0.0 110.924 -0.064 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -117.03 -28.01 6.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.248 -179.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.1 165.0 28.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -52.12 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.439 1.757 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.668 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.9 OUTLIER -113.48 175.14 5.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.588 1.18 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.521 HG22 ' O ' ' A' ' 68' ' ' GLY . 1.2 pt -75.42 142.58 14.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 O-C-N 124.595 1.185 . . . . 0.0 109.326 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.419 ' HB3' HD23 ' A' ' 95' ' ' LEU . 6.7 pt20 -136.58 129.69 31.22 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.471 1.107 . . . . 0.0 110.379 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.2 t -100.47 136.46 31.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 O-C-N 124.424 1.078 . . . . 0.0 109.258 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.638 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -125.24 124.45 41.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 109.352 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.41 HG21 ' HB3' ' A' ' 62' ' ' GLN . 17.0 t -93.48 151.96 3.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.576 1.172 . . . . 0.0 109.333 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -68.38 123.06 19.75 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 110.273 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.77 -7.55 62.08 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.44 1.088 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.06 -166.09 1.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.577 0.81 . . . . 0.0 109.315 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -100.0 -157.8 28.32 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.638 ' HB3' HD12 ' A' ' 87' ' ' LEU . 0.8 OUTLIER -136.86 140.17 42.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 110.337 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.433 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 5.7 t70 -137.39 166.63 23.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.353 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.56 134.54 44.52 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -130.54 170.44 14.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.535 1.147 . . . . 0.0 111.025 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -95.12 158.28 35.11 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.437 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -17.97 18.99 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.525 1.803 . . . . 0.0 111.001 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -99.22 -5.24 30.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.424 1.078 . . . . 0.0 110.342 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.464 ' C ' HG11 ' A' ' 47' ' ' VAL . 3.0 mt-10 -85.37 -64.08 1.22 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.464 1.102 . . . . 0.0 110.243 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -97.04 161.74 13.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.387 1.054 . . . . 0.0 109.283 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -119.63 168.45 11.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.443 1.089 . . . . 0.0 110.33 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.651 ' HA ' HG12 ' A' ' 44' ' ' VAL . 4.3 tp -77.33 124.85 28.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.254 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.442 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -50.95 149.19 6.64 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.133 . . . . 0.0 109.217 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -55.14 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.364 1.718 . . . . 0.0 110.969 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.443 1.089 . . . . 0.0 110.324 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 18.7 ptt? . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.5 tp -162.89 135.65 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -158.18 122.38 4.14 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.503 1.127 . . . . 0.0 110.36 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -128.45 141.44 41.45 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.522 1.139 . . . . 0.0 109.224 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 161.63 38.47 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.434 1.755 . . . . 0.0 110.94 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 13.8 t -123.31 -43.43 2.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 0.0 110.018 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 3.0 pp -159.71 143.27 14.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.11 . . . . 0.0 109.353 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.447 ' N ' HD12 ' A' ' 28' ' ' ILE . 5.4 mp -130.76 137.35 56.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.089 . . . . 0.0 109.263 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -103.53 136.46 36.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 O-C-N 124.433 1.083 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 14.8 p -114.91 140.04 49.31 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.413 1.071 . . . . 0.0 108.291 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -119.31 176.29 5.4 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.586 1.179 . . . . 0.0 109.554 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.3 137.82 54.98 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.287 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.581 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 33.6 t -109.56 131.61 59.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.1 m-20 -50.49 131.91 25.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.287 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 97.82 79.2 1.45 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.414 1.071 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.87 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -161.47 159.44 23.43 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.502 0.766 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -33.33 4.65 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.581 1.832 . . . . 0.0 111.04 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.505 HG21 HG21 ' A' ' 66' ' ' VAL . 4.7 m -126.78 177.99 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.533 1.145 . . . . 0.0 109.24 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -119.62 144.92 46.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 0.0 110.356 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 50.1 mm -56.94 127.09 15.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.26 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.416 ' HA2' ' CG2' ' A' ' 65' ' ' ILE . . . 77.35 11.36 85.58 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.579 1.174 . . . . 0.0 110.986 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.24 141.56 39.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 0.763 . . . . 0.0 109.297 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.497 ' HG2' HG22 ' A' ' 63' ' ' THR . 25.7 tttt -93.96 116.3 28.73 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 109.244 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG12 HD12 ' A' ' 103' ' ' LEU . 27.7 m -115.33 172.07 4.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 11.8 ttpt -125.36 122.49 36.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.7 t -73.06 113.78 11.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 O-C-N 124.427 1.079 . . . . 0.0 109.328 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.0 m -55.32 160.87 3.15 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.28 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.645 ' O ' HD12 ' A' ' 60' ' ' LEU . 18.1 Cg_endo -75.0 -51.84 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.537 1.809 . . . . 0.0 110.985 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -117.11 119.7 36.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 109.631 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.415 ' OG ' ' N ' ' A' ' 51' ' ' GLU . 0.7 OUTLIER -69.3 174.15 5.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.005 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.415 ' N ' ' OG ' ' A' ' 50' ' ' SER . 8.3 mt-10 -103.62 -24.46 13.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -87.04 -73.57 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.335 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.94 -45.42 0.08 OUTLIER Glycine 0 CA--C 1.531 1.094 0 O-C-N 124.562 1.164 . . . . 0.0 111.006 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.9 t -62.07 134.2 56.3 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 0.816 . . . . 0.0 110.323 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.416 HD13 ' H ' ' A' ' 56' ' ' SER . 0.4 OUTLIER -159.56 159.63 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.268 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.416 ' H ' HD13 ' A' ' 55' ' ' ILE . 12.1 t -127.39 110.45 12.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.577 1.173 . . . . 0.0 109.932 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -65.37 -27.45 68.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.458 1.099 . . . . 0.0 110.317 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 10.5 ttt180 -65.53 -39.57 91.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.335 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.452 ' O ' ' N ' ' A' ' 61' ' ' GLY . 25.6 m-85 -91.39 -19.56 22.76 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.668 1.23 . . . . 0.0 110.971 179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.764 HD23 ' O ' ' A' ' 60' ' ' LEU . 3.3 tt -49.21 94.13 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 109.348 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 106.64 36.74 2.55 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.603 1.189 . . . . 0.0 111.012 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.86 -168.66 2.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.594 0.82 . . . . 0.0 110.294 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.58 HG23 ' O ' ' A' ' 44' ' ' VAL . 19.4 m -157.2 113.14 2.9 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.597 1.186 . . . . 0.0 110.368 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.8 -177.4 16.68 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.425 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -118.24 150.48 20.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 0.781 . . . . 0.0 109.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.692 HG12 ' O ' ' A' ' 68' ' ' GLY . 22.6 t -84.72 116.34 28.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.643 1.214 . . . . 0.0 109.37 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.559 HG12 ' CG ' ' A' ' 85' ' ' GLN . 12.1 p -79.79 -33.71 15.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.692 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -121.37 -145.04 7.08 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.87 HD21 ' HB1' ' A' ' 36' ' ' ALA . 1.3 tt -174.66 175.03 2.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.422 0.719 . . . . 0.0 109.328 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.036 HG13 HG23 ' A' ' 84' ' ' ILE . 13.0 m -106.0 103.42 15.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.199 -179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.581 ' CZ ' ' HB ' ' A' ' 33' ' ' VAL . 0.2 OUTLIER -136.46 169.21 18.06 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 111.011 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.29 106.19 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 109.311 179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -81.79 115.64 58.32 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.324 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.423 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.7 Cg_endo -74.98 -161.71 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.554 1.818 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -73.22 -4.38 32.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.287 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 10.4 t -124.34 3.11 8.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.327 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.423 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 33.3 mt-30 59.36 151.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.376 -179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -158.77 154.65 23.26 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.624 1.202 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.598 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.98 -58.82 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.155 0 C-N-CA 120.967 -2.514 . . . . 0.0 111.028 -0.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.449 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -116.77 -27.97 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -129.59 161.89 56.37 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.464 1.102 . . . . 0.0 109.353 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -34.02 4.29 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.385 1.729 . . . . 0.0 111.013 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.901 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.5 pt? -116.04 175.9 5.34 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.429 1.08 . . . . 0.0 109.363 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.036 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -74.89 145.18 11.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.491 1.12 . . . . 0.0 109.359 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.559 ' CG ' HG12 ' A' ' 67' ' ' VAL . 0.6 OUTLIER -130.37 139.1 50.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.561 1.163 . . . . 0.0 110.288 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.97 141.85 25.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.629 HD12 ' HB3' ' A' ' 93' ' ' GLU . 9.7 tt -132.28 121.53 23.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 30.5 t -88.63 153.01 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.368 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.87 128.29 36.15 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.568 1.168 . . . . 0.0 110.312 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 71.0 6.89 61.21 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.45 1.094 . . . . 0.0 111.028 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -121.5 -170.08 1.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.514 0.773 . . . . 0.0 109.252 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -93.12 -160.57 35.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 0.0 111.0 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.629 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.1 pt-20 -141.12 138.25 33.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 0.745 . . . . 0.0 110.302 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -132.39 166.84 21.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.305 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.451 HD23 ' HB3' ' A' ' 85' ' ' GLN . 0.2 OUTLIER -101.54 128.85 47.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.884 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -123.92 164.69 18.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -87.28 158.49 52.13 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -23.85 13.57 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.474 1.776 . . . . 0.0 111.01 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -99.16 3.17 46.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.106 . . . . 0.0 110.314 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -88.38 -68.67 0.75 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.471 1.107 . . . . 0.0 110.26 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.465 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.4 pp -97.0 160.58 14.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.613 1.195 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.53 168.36 11.07 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.274 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.657 HD12 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -77.79 125.94 30.11 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.421 1.076 . . . . 0.0 109.293 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -67.08 150.85 97.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.605 1.191 . . . . 0.0 109.329 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -54.62 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.343 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.257 0 CA-C-O 120.573 0.225 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.1 tp -160.03 125.36 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.447 1.092 . . . . 0.0 109.232 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.55 108.93 7.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.19 138.71 81.68 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.577 1.173 . . . . 0.0 109.349 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 95.49 0.98 Allowed 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.78 . . . . 0.0 110.954 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 75.1 m -50.62 -48.96 57.8 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.485 HD23 HG23 ' A' ' 29' ' ' ILE . 5.1 tt -172.78 87.91 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.11 . . . . 0.0 109.34 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 49.9 pt -83.34 138.02 19.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.387 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.485 HG23 HD23 ' A' ' 27' ' ' LEU . 2.3 pp -133.35 136.75 54.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 109.279 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 73.9 m -115.48 121.03 41.46 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 108.296 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -67.44 -179.96 1.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 109.603 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -64.21 134.02 53.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.424 1.078 . . . . 0.0 109.357 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.562 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 25.2 t -111.3 134.67 52.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -55.68 144.68 26.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.176 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.21 -46.45 1.17 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.43 1.082 . . . . 0.0 111.019 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.845 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -41.29 158.77 0.18 Allowed Pre-proline 0 C--N 1.326 -0.434 0 O-C-N 124.551 0.795 . . . . 0.0 109.301 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.424 ' HD3' HG23 ' A' ' 70' ' ' VAL . 18.0 Cg_endo -75.06 -54.81 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.522 1.801 . . . . 0.0 111.023 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.658 ' O ' HD11 ' A' ' 69' ' ' LEU . 16.8 m -133.12 177.4 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 4.8 ttt180 -93.98 170.97 9.15 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 110.383 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 mm -77.03 141.54 15.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.09 10.66 69.19 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.471 1.107 . . . . 0.0 111.027 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -75.99 141.84 42.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 0.741 . . . . 0.0 109.245 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.409 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -95.07 113.71 25.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.735 HG12 HD12 ' A' ' 103' ' ' LEU . 26.9 m -115.65 171.89 4.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 11.0 ttpt -125.58 115.84 20.79 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.65 1.219 . . . . 0.0 109.271 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.573 HG21 ' HB3' ' A' ' 59' ' ' PHE . 21.0 m -67.14 125.15 23.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 O-C-N 124.628 1.205 . . . . 0.0 109.231 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.7 p -59.19 129.94 86.67 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.565 1.165 . . . . 0.0 109.288 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.42 0.2 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.494 1.787 . . . . 0.0 111.071 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -54.5 150.0 9.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.456 1.098 . . . . 0.0 109.566 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.9 t -115.08 98.61 6.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.546 1.154 . . . . 0.0 110.03 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -112.09 -40.49 4.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 110.361 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -77.61 -175.07 3.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.69 -76.46 0.68 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.418 1.074 . . . . 0.0 110.986 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.4 t -73.62 132.34 42.66 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 0.795 . . . . 0.0 110.42 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -153.5 158.45 3.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 58.2 m -104.4 121.56 43.66 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.584 1.177 . . . . 0.0 109.963 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.57 -28.78 26.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 110.346 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 4.1 ttm180 -76.64 -27.02 55.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.207 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.573 ' HB3' HG21 ' A' ' 46' ' ' VAL . 23.7 m-85 -99.23 17.53 19.76 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 111.006 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -45.69 95.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.558 1.162 . . . . 0.0 109.287 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 70.56 48.09 38.16 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.535 1.147 . . . . 0.0 111.022 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.58 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -98.22 -176.08 3.31 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.458 0.74 . . . . 0.0 110.302 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.6 m -147.37 122.85 10.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.413 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.4 -173.76 16.07 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.528 1.142 . . . . 0.0 110.984 -179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.409 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -113.58 154.67 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.468 0.746 . . . . 0.0 109.366 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.578 HG21 HG21 ' A' ' 38' ' ' VAL . 74.8 t -84.04 105.58 13.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.325 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.5 t -74.8 -36.15 38.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.513 ' O ' HG22 ' A' ' 84' ' ' ILE . . . -128.3 147.99 17.65 Favored Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.58 1.175 . . . . 0.0 111.013 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.92 HD23 ' N ' ' A' ' 70' ' ' VAL . 6.3 tt -113.66 163.21 15.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.565 0.803 . . . . 0.0 109.331 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.92 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -96.05 104.63 16.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.407 1.067 . . . . 0.0 109.246 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.855 ' CE2' HD22 ' A' ' 69' ' ' LEU . 12.4 m-85 -134.83 169.17 17.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.412 1.07 . . . . 0.0 111.06 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -42.4 106.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.551 1.157 . . . . 0.0 109.342 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -79.34 114.99 49.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 -164.2 0.22 Allowed 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.498 1.788 . . . . 0.0 111.018 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.58 -3.03 38.68 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.4 t -127.36 9.59 6.67 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.474 1.109 . . . . 0.0 110.414 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 60.76 153.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.343 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.619 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.23 154.46 12.81 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.619 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.93 -59.41 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.142 0 C-N-CA 120.99 -2.504 . . . . 0.0 111.041 -0.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -118.24 -28.62 5.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.162 . . . . 0.0 109.3 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 58.0 p30 -123.4 156.12 64.37 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.356 1.035 . . . . 0.0 109.292 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -46.01 0.26 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.427 1.751 . . . . 0.0 111.049 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.48 ' HA ' ' CG1' ' A' ' 70' ' ' VAL . 1.6 tp -111.53 174.97 5.61 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.498 1.124 . . . . 0.0 109.392 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.7 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -75.4 144.78 11.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.423 1.077 . . . . 0.0 109.382 179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 11.8 pt20 -133.19 136.22 45.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.524 1.14 . . . . 0.0 110.346 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.423 HG11 HG13 ' A' ' 46' ' ' VAL . 2.7 t -113.26 122.35 67.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.743 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.2 tt -108.31 124.73 50.79 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.58 HG21 ' HG2' ' A' ' 62' ' ' GLN . 49.1 t -88.03 151.01 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.311 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.52 130.29 41.48 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.484 1.115 . . . . 0.0 110.247 -179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.96 5.86 54.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.451 1.094 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -123.3 -169.12 1.88 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.32 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -92.16 -155.05 31.5 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.548 1.155 . . . . 0.0 111.035 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.743 ' HB3' HD12 ' A' ' 87' ' ' LEU . 2.2 pt-20 -139.67 150.06 44.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 0.788 . . . . 0.0 110.226 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.46 ' C ' HD22 ' A' ' 95' ' ' LEU . 3.7 t70 -145.88 167.03 24.24 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.2 OUTLIER -101.15 130.57 47.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.574 1.171 . . . . 0.0 109.274 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.486 ' CZ ' HG11 ' A' ' 46' ' ' VAL . 67.0 m-85 -125.61 162.81 24.13 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.592 1.182 . . . . 0.0 111.005 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.417 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 4.7 m-85 -89.3 159.42 44.68 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 111.023 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -20.66 16.52 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.41 1.742 . . . . 0.0 110.957 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -99.66 -4.9 29.87 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.547 1.154 . . . . 0.0 110.278 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.417 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 4.2 mm-40 -83.68 -61.43 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.468 1.105 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.503 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.3 pp -97.09 170.5 9.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.415 1.072 . . . . 0.0 109.364 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -136.04 167.5 21.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.213 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.735 HD12 HG12 ' A' ' 44' ' ' VAL . 8.0 tp -77.58 131.84 38.02 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.509 1.13 . . . . 0.0 109.298 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -50.74 152.37 3.56 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 0.0 109.258 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 -54.28 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.552 1.817 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.303 179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.591 0.234 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.716 HD13 ' N ' ' A' ' 23' ' ' GLN . 0.2 OUTLIER -174.54 124.21 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.344 -179.925 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.716 ' N ' HD13 ' A' ' 22' ' ' ILE . 2.0 mm-40 -147.17 113.75 6.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.268 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.6 t70 -89.29 122.4 68.6 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.463 1.102 . . . . 0.0 109.395 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.87 104.17 1.85 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.466 1.771 . . . . 0.0 111.002 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.0 t -112.3 -44.14 3.43 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.421 1.075 . . . . 0.0 109.985 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.53 112.95 10.09 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.485 1.115 . . . . 0.0 109.233 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.4 pp -102.28 128.07 55.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.59 ' N ' HD12 ' A' ' 29' ' ' ILE . 4.4 mp -106.11 130.25 58.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.096 . . . . 0.0 109.289 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -111.61 132.31 54.65 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.555 1.159 . . . . 0.0 108.335 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -96.01 175.09 6.61 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.159 . . . . 0.0 109.562 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -101.15 152.49 20.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.558 1.161 . . . . 0.0 109.238 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.588 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 49.7 t -129.47 143.58 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.246 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -69.81 115.31 8.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.84 64.59 0.32 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.411 1.07 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.833 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -145.37 158.93 50.14 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.42 0.717 . . . . 0.0 109.332 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -51.44 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.478 1.778 . . . . 0.0 110.93 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.667 HG21 HG21 ' A' ' 66' ' ' VAL . 21.7 m -125.64 177.55 4.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.683 1.24 . . . . 0.0 109.246 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.404 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 6.9 tmm_? -105.65 157.37 17.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.586 1.179 . . . . 0.0 110.367 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.1 mm -63.72 132.5 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 109.268 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.37 2.9 81.25 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.376 1.047 . . . . 0.0 110.932 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -67.88 141.56 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.738 . . . . 0.0 109.345 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.471 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.3 OUTLIER -93.22 120.4 33.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 109.289 179.948 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.513 ' HB ' HD13 ' A' ' 101' ' ' LEU . 33.8 m -115.66 171.86 4.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -128.7 116.17 19.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.427 ' CG2' HG11 ' A' ' 86' ' ' VAL . 59.2 t -67.84 127.52 29.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 0.0 109.381 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.713 HG23 HD11 ' A' ' 55' ' ' ILE . 2.3 m -55.36 160.33 3.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.467 1.104 . . . . 0.0 109.239 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.15 -57.0 0.06 OUTLIER 'Trans proline' 0 C--N 1.362 1.253 0 O-C-N 124.44 1.758 . . . . 0.0 110.922 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -112.85 148.22 35.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.517 1.135 . . . . 0.0 109.594 -179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.418 ' N ' HG12 ' A' ' 55' ' ' ILE . 29.9 t -47.7 146.55 2.23 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.002 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.84 -26.43 8.56 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.416 1.072 . . . . 0.0 110.343 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' OE1' ' A' ' 100' ' ' GLU . 0.6 OUTLIER -130.43 -49.1 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.327 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -174.74 -64.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.484 1.115 . . . . 0.0 110.939 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -59.22 133.61 56.25 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 0.744 . . . . 0.0 110.405 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.713 HD11 HG23 ' A' ' 47' ' ' VAL . 4.4 tp -171.77 164.94 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.424 1.077 . . . . 0.0 109.253 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.1 m -139.49 118.6 12.65 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.505 1.128 . . . . 0.0 109.992 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -66.26 -15.85 63.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.283 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 7.7 ttt180 -79.53 -40.29 29.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 110.237 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -94.01 17.62 12.03 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.594 1.184 . . . . 0.0 111.035 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -54.64 102.97 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.88 36.8 61.12 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.499 1.124 . . . . 0.0 111.043 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.544 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -101.06 162.58 12.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 110.234 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.428 HG22 ' HE2' ' A' ' 43' ' ' LYS . 4.6 m -127.75 126.19 41.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.128 . . . . 0.0 110.358 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -139.57 -158.74 7.74 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.496 1.123 . . . . 0.0 111.0 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.471 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.0 OUTLIER -135.46 153.29 33.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 0.738 . . . . 0.0 109.384 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.667 HG21 HG21 ' A' ' 38' ' ' VAL . 40.1 t -82.4 140.5 16.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.427 ' CG2' ' CG ' ' A' ' 85' ' ' GLN . 41.3 t -88.79 -47.67 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -124.54 -133.77 4.1 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.424 1.078 . . . . 0.0 110.976 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.833 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -167.95 163.28 13.74 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 0.798 . . . . 0.0 109.27 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.062 HG12 ' HA ' ' A' ' 83' ' ' LEU . 9.0 m -99.97 102.17 13.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.49 1.119 . . . . 0.0 109.341 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.668 ' CD2' HD22 ' A' ' 69' ' ' LEU . 0.6 OUTLIER -137.71 169.92 16.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 111.042 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -41.75 106.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -67.02 114.87 20.16 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.226 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.434 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.01 -164.19 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.532 1.807 . . . . 0.0 110.988 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -84.49 -5.09 59.26 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.281 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.588 ' O ' HG22 ' A' ' 76' ' ' THR . 5.4 m -127.2 14.8 7.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.613 1.195 . . . . 0.0 110.429 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.404 ' O ' ' O ' ' A' ' 76' ' ' THR . 0.0 OUTLIER 60.0 147.41 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.531 1.144 . . . . 0.0 110.267 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.86 153.78 11.17 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 110.994 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.564 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.09 -59.31 0.12 OUTLIER 'Cis proline' 0 C--N 1.36 1.146 0 C-N-CA 120.952 -2.52 . . . . 0.0 110.986 -0.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -117.34 -28.1 6.22 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -129.91 169.08 14.23 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.243 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.98 -37.46 2.03 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.605 1.845 . . . . 0.0 111.054 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.062 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.3 pt? -131.75 176.56 8.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.129 . . . . 0.0 109.346 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.537 HG22 HG11 ' A' ' 66' ' ' VAL . 1.1 pt -74.25 144.82 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.384 1.052 . . . . 0.0 109.304 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.427 ' CG ' ' CG2' ' A' ' 67' ' ' VAL . 1.0 OUTLIER -132.99 127.58 34.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.248 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 96' ' ' PHE . 2.9 t -96.93 133.15 39.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.7 tt -124.54 121.95 36.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.544 HG21 ' HG2' ' A' ' 62' ' ' GLN . 24.9 t -93.41 150.21 4.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.435 1.085 . . . . 0.0 109.337 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -70.91 130.29 41.25 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 75.17 0.69 61.81 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.511 1.132 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -118.8 -165.33 1.12 Allowed 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.474 0.75 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.0 -164.66 30.03 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.122 . . . . 0.0 110.969 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.539 ' HB3' HD12 ' A' ' 87' ' ' LEU . 0.7 OUTLIER -133.88 138.36 45.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.414 0.714 . . . . 0.0 110.305 179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.428 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 3.8 t70 -135.23 166.67 22.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.298 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.428 ' N ' ' CG ' ' A' ' 94' ' ' ASP . 0.2 OUTLIER -101.51 127.77 48.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.1 . . . . 0.0 109.357 179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.559 ' CE1' ' HB ' ' A' ' 86' ' ' VAL . 68.7 m-85 -123.84 160.82 26.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.429 1.08 . . . . 0.0 110.956 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -88.14 159.24 48.44 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 110.973 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -19.25 18.12 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.528 1.804 . . . . 0.0 110.973 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -99.63 -1.74 37.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.543 1.152 . . . . 0.0 110.316 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.453 ' OE1' ' N ' ' A' ' 52' ' ' ASP . 4.8 mm-40 -83.26 -69.13 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.225 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.513 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.0 pp -96.99 168.18 10.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.281 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -119.22 164.74 15.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.604 1.19 . . . . 0.0 110.223 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.49 131.08 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -95.26 152.24 39.26 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.461 1.1 . . . . 0.0 109.222 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 -54.59 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.49 1.784 . . . . 0.0 110.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 120.468 0.175 . . . . 0.0 111.011 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.483 HG23 ' O ' ' A' ' 22' ' ' ILE . 2.3 tp -122.84 42.76 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.606 1.191 . . . . 0.0 109.298 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -104.52 -58.47 1.88 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.515 1.134 . . . . 0.0 110.324 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.51 136.84 52.27 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.368 1.042 . . . . 0.0 109.29 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 179.72 5.8 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.511 1.795 . . . . 0.0 111.012 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.532 ' O ' HD12 ' A' ' 27' ' ' LEU . 82.5 p -71.27 -24.48 62.17 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.941 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.532 HD12 ' O ' ' A' ' 26' ' ' SER . 0.5 OUTLIER -153.79 158.96 41.67 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.231 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -114.36 138.22 45.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.416 1.073 . . . . 0.0 109.384 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.3 pp -86.12 145.1 8.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.237 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 30.1 p -147.02 161.53 40.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 108.337 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 25.1 m80 -152.78 166.36 32.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 109.577 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -78.15 147.79 34.4 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.568 1.168 . . . . 0.0 109.312 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.591 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 47.3 t -120.45 156.8 23.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 109.263 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -72.68 129.34 38.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.277 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.591 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.31 87.11 1.35 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.572 1.17 . . . . 0.0 110.983 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.89 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -164.14 158.88 16.34 Favored Pre-proline 0 C--N 1.327 -0.408 0 O-C-N 124.431 0.724 . . . . 0.0 109.268 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.462 ' CB ' ' HB3' ' A' ' 98' ' ' PRO . 18.2 Cg_endo -74.99 -51.27 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.438 1.757 . . . . 0.0 110.999 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 66' ' ' VAL . 25.5 m -124.1 177.53 4.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -111.46 154.8 24.16 Favored 'General case' 0 C--N 1.327 -0.374 0 O-C-N 124.439 1.087 . . . . 0.0 110.246 179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 25.6 mm -60.92 133.67 26.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.403 1.064 . . . . 0.0 109.266 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.65 3.17 82.95 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.54 1.15 . . . . 0.0 110.922 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -71.97 133.03 45.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.45 ' HD3' HD11 ' A' ' 65' ' ' ILE . 2.9 ttpt -92.98 114.07 26.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 109.304 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.905 HG12 HD12 ' A' ' 103' ' ' LEU . 34.7 m -108.03 171.31 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.226 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 4.4 ttpt -122.55 113.94 19.97 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.523 1.139 . . . . 0.0 109.364 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.433 ' CG2' HG11 ' A' ' 86' ' ' VAL . 42.9 t -66.64 123.57 19.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.104 . . . . 0.0 109.3 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.05 157.4 5.93 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.372 1.045 . . . . 0.0 109.3 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 -52.31 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.546 1.814 . . . . 0.0 111.042 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -106.31 148.63 27.78 Favored 'General case' 0 C--N 1.326 -0.418 0 O-C-N 124.495 1.122 . . . . 0.0 109.579 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.482 ' HB2' HG21 ' A' ' 55' ' ' ILE . 26.6 t -53.44 145.03 15.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.422 1.076 . . . . 0.0 109.915 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -107.21 -34.44 7.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.262 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -118.03 -60.76 1.76 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.389 1.056 . . . . 0.0 109.247 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -165.52 -63.3 0.03 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.538 1.149 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.6 t -61.85 138.76 58.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 110.319 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.482 HG21 ' HB2' ' A' ' 50' ' ' SER . 8.3 tp -171.44 156.18 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.153 . . . . 0.0 109.312 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.3 t -129.03 121.38 27.78 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 110.014 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 16.9 tt0 -64.98 -19.54 66.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 110.351 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.408 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -71.49 -47.92 52.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 110.333 179.917 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 35.6 m-85 -88.42 18.33 4.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 110.959 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.9 tt -64.49 99.08 0.28 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.555 1.159 . . . . 0.0 109.361 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.51 33.65 24.67 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.45 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -109.49 163.11 13.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 110.363 179.923 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 12.4 m -125.34 126.42 45.03 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 0.0 110.402 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.408 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -140.95 -174.36 14.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.554 1.159 . . . . 0.0 111.001 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.45 HD11 ' HD3' ' A' ' 43' ' ' LYS . 1.6 mt -118.81 160.47 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.429 0.723 . . . . 0.0 109.266 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.808 HG21 HG21 ' A' ' 38' ' ' VAL . 45.0 t -85.21 139.39 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.361 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.8 t -86.36 -43.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.459 1.099 . . . . 0.0 109.269 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -131.51 -131.19 3.23 Favored Glycine 0 CA--C 1.529 0.91 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.89 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -169.7 173.21 6.4 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.469 0.746 . . . . 0.0 109.237 -179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.002 HG12 ' HA ' ' A' ' 83' ' ' LEU . 24.3 m -110.06 103.16 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.305 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.775 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.5 m-85 -136.92 169.86 17.06 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.441 1.088 . . . . 0.0 111.05 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -41.53 106.16 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.35 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -73.81 114.47 32.73 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.515 1.134 . . . . 0.0 109.244 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.403 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.09 -164.25 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.524 1.802 . . . . 0.0 111.018 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -81.51 -0.53 42.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.0 t -128.36 7.94 5.94 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.564 1.165 . . . . 0.0 110.465 179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 61.7 141.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.429 1.08 . . . . 0.0 110.342 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.598 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -155.76 154.53 28.1 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.967 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.588 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -75.07 -60.88 0.06 OUTLIER 'Cis proline' 0 C--N 1.359 1.112 0 C-N-CA 121.072 -2.47 . . . . 0.0 111.022 0.059 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -119.39 -28.44 5.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 109.319 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.426 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 12.6 m-20 -122.95 160.81 47.74 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.9 -46.43 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 110.981 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.002 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 pt? -121.96 175.63 6.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.155 . . . . 0.0 109.298 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.728 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -75.66 144.83 11.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.386 1.054 . . . . 0.0 109.273 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.426 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 5.7 pt20 -137.17 138.42 40.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.406 1.066 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.438 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -105.93 139.49 27.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.16 . . . . 0.0 109.355 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.485 HD12 ' HB3' ' A' ' 93' ' ' GLU . 9.3 tt -127.61 129.41 47.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.622 1.201 . . . . 0.0 109.308 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.462 HG11 HD13 ' A' ' 91' ' ' LEU . 32.5 t -99.42 149.71 5.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.543 1.152 . . . . 0.0 109.355 -179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.32 124.16 23.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 110.244 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 81.76 -6.43 65.88 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.559 1.162 . . . . 0.0 111.013 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.462 HD13 HG11 ' A' ' 88' ' ' VAL . 0.1 OUTLIER -108.34 -165.8 1.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 0.744 . . . . 0.0 109.299 179.971 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -148.44 23.92 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.561 1.163 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.485 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.8 pt-20 -143.24 150.06 38.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 0.77 . . . . 0.0 110.31 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.752 ' C ' HD13 ' A' ' 95' ' ' LEU . 3.3 t70 -148.08 166.96 26.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 1.134 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.793 ' N ' HD13 ' A' ' 95' ' ' LEU . 0.0 OUTLIER -106.26 134.9 48.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 0.0 109.274 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.562 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 92.0 m-85 -130.72 170.33 14.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.95 159.46 29.33 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.507 1.129 . . . . 0.0 110.947 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.06 -16.8 19.87 Favored 'Trans proline' 0 C--N 1.362 1.239 0 O-C-N 124.464 1.77 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -99.76 -4.33 30.87 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.397 1.061 . . . . 0.0 110.28 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -86.98 -65.76 0.98 Allowed 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.35 1.031 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.525 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.8 pp -96.69 169.25 10.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.577 1.173 . . . . 0.0 109.327 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -123.73 168.41 12.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.303 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.905 HD12 HG12 ' A' ' 44' ' ' VAL . 7.8 tp -77.36 124.01 27.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.147 . . . . 0.0 109.385 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -48.89 146.32 5.57 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 109.309 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -56.05 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.523 1.801 . . . . 0.0 111.002 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.442 1.089 . . . . 0.0 110.315 179.998 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.259 0 CA-C-O 120.491 0.186 . . . . 0.0 110.993 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.9 tp -79.48 137.9 20.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -96.83 172.9 7.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.294 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.9 p-10 -61.67 142.85 94.29 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.463 1.102 . . . . 0.0 109.343 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 28' ' ' ILE . 18.3 Cg_endo -74.94 -3.8 14.46 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.487 1.783 . . . . 0.0 111.041 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 27' ' ' LEU . 40.9 t -38.75 -44.35 1.01 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -39.13 -57.35 1.32 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.367 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.401 ' O ' ' O ' ' A' ' 25' ' ' PRO . 2.6 pt -99.24 150.7 5.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.439 1.087 . . . . 0.0 109.339 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 46.8 mm -116.78 143.0 28.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.581 1.176 . . . . 0.0 109.275 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 29.1 p -112.06 148.6 33.55 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 108.265 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -131.91 179.85 5.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 109.602 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.15 158.88 24.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.631 1.207 . . . . 0.0 109.302 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.589 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 26.2 t -133.09 144.48 36.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.535 1.147 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -64.31 133.41 52.65 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 109.339 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.611 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 91.6 89.69 1.42 Allowed Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.467 1.104 . . . . 0.0 111.035 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.902 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -164.94 159.33 14.81 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.437 0.728 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -48.6 0.17 Allowed 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.516 1.798 . . . . 0.0 111.119 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 1.022 HG21 HG21 ' A' ' 66' ' ' VAL . 28.6 m -128.0 177.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.55 1.156 . . . . 0.0 109.327 179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.453 ' O ' ' HB3' ' A' ' 42' ' ' ALA . 0.4 OUTLIER -108.55 153.39 23.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 110.354 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.422 HD11 ' HB2' ' A' ' 69' ' ' LEU . 44.1 mm -61.24 133.66 26.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.93 8.55 84.89 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.481 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -80.76 137.6 36.26 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.256 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 1.8 ttpt -94.4 112.73 24.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.605 HG11 HG11 ' A' ' 38' ' ' VAL . 27.1 m -103.84 171.49 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -123.22 113.64 19.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 69.0 t -67.29 117.88 9.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.346 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 3.3 m -54.99 160.57 2.93 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 109.34 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 -49.89 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.484 1.781 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 44.5 p-80 -117.48 140.7 49.27 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.553 1.158 . . . . 0.0 109.612 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.403 ' HA ' ' OE2' ' A' ' 100' ' ' GLU . 4.5 t -86.34 156.24 20.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.157 . . . . 0.0 110.031 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.14 6.46 15.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -123.58 -82.68 0.65 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.546 1.154 . . . . 0.0 109.272 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -160.04 -55.34 0.01 OUTLIER Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -59.15 136.85 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.508 0.769 . . . . 0.0 110.458 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.445 HD12 ' HA ' ' A' ' 55' ' ' ILE . 7.3 tp -171.43 164.64 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 m -141.49 114.66 8.7 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.143 . . . . 0.0 109.947 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.1 tt0 -70.02 -12.61 61.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.344 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 0.1 OUTLIER -83.48 -36.3 24.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.282 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -97.86 18.58 15.49 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.516 1.135 . . . . 0.0 111.06 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 5.2 tt -66.64 90.59 0.17 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.402 1.064 . . . . 0.0 109.245 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 98.92 27.45 8.32 Favored Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.396 1.06 . . . . 0.0 110.975 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.772 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -101.9 178.56 4.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 0.787 . . . . 0.0 110.259 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.422 HG22 ' HG2' ' A' ' 43' ' ' LYS . 13.6 m -150.27 111.85 4.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.382 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.08 -173.27 13.55 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.453 1.096 . . . . 0.0 111.029 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.481 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -117.87 149.52 20.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.529 0.782 . . . . 0.0 109.279 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 1.022 HG21 HG21 ' A' ' 38' ' ' VAL . 23.9 t -77.93 126.45 38.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.466 1.104 . . . . 0.0 109.246 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.7 t -71.98 -45.66 62.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.452 1.095 . . . . 0.0 109.261 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -125.84 -124.83 2.82 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.485 1.116 . . . . 0.0 111.049 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.902 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -170.84 177.88 3.67 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.478 0.752 . . . . 0.0 109.265 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.642 HG12 ' HA ' ' A' ' 83' ' ' LEU . 0.1 OUTLIER -113.27 102.05 13.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.22 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.69 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -137.97 169.36 17.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 0.0 111.092 179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -42.13 106.3 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -73.85 114.42 32.42 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.417 1.073 . . . . 0.0 109.2 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 -167.13 0.39 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.567 1.825 . . . . 0.0 110.982 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.67 -3.91 40.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.28 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.9 t -127.0 12.14 7.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.545 1.153 . . . . 0.0 110.371 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 59.04 152.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.506 1.129 . . . . 0.0 110.324 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.591 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.9 153.8 11.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 111.005 179.97 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.575 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -74.99 -56.56 0.14 OUTLIER 'Cis proline' 0 C--N 1.361 1.232 0 C-N-CA 120.959 -2.517 . . . . 0.0 111.001 -0.095 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.66 -27.71 7.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.406 ' CG ' ' OE1' ' A' ' 85' ' ' GLN . 0.4 OUTLIER -128.18 164.15 39.34 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -34.12 4.15 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.6 1.842 . . . . 0.0 110.981 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.642 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.4 OUTLIER -129.73 176.02 8.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 109.299 -179.894 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.556 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.32 144.96 11.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.402 1.064 . . . . 0.0 109.248 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.642 ' HB3' HD12 ' A' ' 95' ' ' LEU . 2.9 pt20 -135.74 131.36 35.47 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.497 ' HB ' ' CE2' ' A' ' 96' ' ' PHE . 2.5 t -104.04 143.28 16.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.333 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.604 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.2 tt -132.84 128.56 36.96 Favored 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.632 1.208 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.772 HG21 ' HG2' ' A' ' 62' ' ' GLN . 27.0 t -97.19 151.29 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.214 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -71.13 123.01 21.17 Favored 'General case' 0 C--N 1.327 -0.404 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 82.98 -9.81 59.39 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.538 1.148 . . . . 0.0 111.041 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -108.14 -168.06 1.32 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.365 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.09 -160.97 32.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.604 ' HB3' HD12 ' A' ' 87' ' ' LEU . 1.8 pt-20 -136.92 144.28 43.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.588 0.817 . . . . 0.0 110.317 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.469 ' C ' HD13 ' A' ' 95' ' ' LEU . 13.2 t70 -141.27 166.62 24.26 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.413 1.07 . . . . 0.0 109.302 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.689 HD22 ' H ' ' A' ' 95' ' ' LEU . 0.0 OUTLIER -101.48 133.73 45.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.497 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 96.7 m-85 -124.83 170.46 11.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 111.003 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.401 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 1.6 m-85 -97.19 159.27 31.71 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 111.004 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.85 -23.84 13.76 Favored 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.457 1.767 . . . . 0.0 111.057 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -99.58 4.36 45.77 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.329 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.403 ' OE2' ' HA ' ' A' ' 50' ' ' SER . 15.8 mm-40 -89.99 -66.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 110.363 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 4.6 pp -97.2 173.2 7.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -125.09 168.5 13.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.258 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 1.1 tt -77.78 120.66 23.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.567 1.167 . . . . 0.0 109.283 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -64.57 143.44 98.61 Favored Pre-proline 0 C--N 1.323 -0.545 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -53.23 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.516 1.798 . . . . 0.0 111.048 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 . . . . . 0 C--N 1.327 -0.411 0 O-C-N 124.463 1.102 . . . . 0.0 110.235 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.7 ptm . . . . . 0 N--CA 1.453 -0.307 0 CA-C-O 120.539 0.209 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 4.6 tp -141.68 139.81 31.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.346 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -139.78 157.14 46.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.452 1.095 . . . . 0.0 110.273 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -128.62 130.84 23.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.454 1.096 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 122.0 6.92 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 55.7 p -95.38 -50.29 5.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 1.102 . . . . 0.0 109.999 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -154.88 171.57 19.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.298 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.0 mt -105.7 119.06 54.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.2 mt -88.1 150.74 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.325 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -123.31 159.5 28.7 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.54 1.15 . . . . 0.0 108.315 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -125.98 162.89 24.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.595 1.184 . . . . 0.0 109.65 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.2 165.87 22.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.285 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.596 ' HB ' ' CE2' ' A' ' 71' ' ' PHE . 35.9 t -132.66 142.25 42.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -63.87 122.09 15.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 104.62 88.01 2.03 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.882 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.34 158.93 13.96 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.463 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 17.8 Cg_endo -75.08 -44.88 0.3 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.482 1.78 . . . . 0.0 110.969 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 66' ' ' VAL . 30.3 m -121.59 176.35 4.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 0.0 109.316 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.463 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.5 OUTLIER -110.69 138.59 46.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 110.342 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.724 HD11 ' HB2' ' A' ' 69' ' ' LEU . 27.5 mm -57.37 130.97 20.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.265 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.99 14.57 81.83 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.541 1.151 . . . . 0.0 110.976 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.463 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -90.86 141.79 28.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 0.738 . . . . 0.0 109.265 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.525 ' O ' ' HB3' ' A' ' 104' ' ' ALA . 19.2 tttt -93.99 114.7 26.94 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 109.26 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.819 HG12 HD12 ' A' ' 103' ' ' LEU . 35.3 m -108.44 171.66 2.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -121.76 116.39 24.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.588 1.18 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 57.3 t -69.14 119.14 14.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 O-C-N 124.479 1.112 . . . . 0.0 109.247 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.416 HG22 ' H ' ' A' ' 47' ' ' VAL . 1.7 m -55.73 160.48 4.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -54.76 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.448 1.762 . . . . 0.0 111.048 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -116.97 136.87 52.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.475 1.109 . . . . 0.0 109.64 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.773 ' CB ' HD13 ' A' ' 55' ' ' ILE . 29.7 t -107.61 176.58 5.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 110.001 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -106.5 -41.08 5.38 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.426 1.079 . . . . 0.0 110.247 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -71.45 179.61 2.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -71.88 -36.18 61.37 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.478 1.112 . . . . 0.0 111.003 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.6 t -67.23 131.96 46.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.435 0.726 . . . . 0.0 110.426 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.773 HD13 ' CB ' ' A' ' 50' ' ' SER . 6.7 tp -171.49 164.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.501 1.125 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.7 m -145.85 114.32 6.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.056 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.5 tm0? -75.18 -17.83 60.3 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.49 1.119 . . . . 0.0 110.337 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 8.8 ttt180 -75.57 -18.26 59.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.272 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.517 ' CE1' HD22 ' A' ' 91' ' ' LEU . 24.1 m-85 -112.46 19.25 17.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 111.039 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.97 97.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 76.44 37.8 34.95 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.518 1.136 . . . . 0.0 110.966 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.792 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -94.13 165.71 12.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 0.774 . . . . 0.0 110.364 179.882 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 23.7 m -133.23 110.32 10.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.614 1.196 . . . . 0.0 110.389 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -131.35 179.52 16.98 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.56 1.162 . . . . 0.0 111.01 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.409 HG23 ' O ' ' A' ' 42' ' ' ALA . 2.0 mt -110.72 156.49 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 0.772 . . . . 0.0 109.261 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.512 HG21 HG21 ' A' ' 38' ' ' VAL . 56.1 t -85.8 126.05 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.267 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 92.8 t -83.43 -41.94 17.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.648 1.217 . . . . 0.0 109.283 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -137.39 153.91 22.19 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.471 1.107 . . . . 0.0 111.03 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.882 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.3 OUTLIER -100.71 -179.38 4.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.939 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.063 HG13 HG23 ' A' ' 84' ' ' ILE . 9.9 m -112.92 103.26 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.263 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.596 ' CE2' ' HB ' ' A' ' 33' ' ' VAL . 0.5 OUTLIER -136.64 169.26 18.0 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -42.33 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.392 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -76.44 114.3 36.98 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 0.0 109.316 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.426 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.3 Cg_endo -75.01 -161.19 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 111.056 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.24 -0.84 23.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.596 1.185 . . . . 0.0 109.276 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 77' ' ' GLN . 14.5 t -129.31 7.12 5.37 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 110.41 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.426 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 8.2 mt-30 58.36 155.96 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.566 ' CG ' ' HA ' ' A' ' 79' ' ' PRO . 0.3 OUTLIER -164.0 152.93 11.77 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.441 1.088 . . . . 0.0 111.037 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.566 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.2 Cg_endo -75.0 -57.76 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 120.899 -2.542 . . . . 0.0 110.987 -0.104 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -115.19 -27.74 7.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -132.38 172.1 7.97 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.597 1.186 . . . . 0.0 109.292 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -52.55 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.543 1.812 . . . . 0.0 111.004 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.85 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.9 tp -107.03 176.02 5.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.376 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.063 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -74.73 145.86 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.092 . . . . 0.0 109.251 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.503 ' CB ' HD22 ' A' ' 95' ' ' LEU . 0.3 OUTLIER -136.93 138.75 40.96 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.526 1.141 . . . . 0.0 110.341 179.954 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.3 t -107.83 147.02 13.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 109.302 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 6.7 tt -131.39 117.27 18.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.792 HG21 ' HG2' ' A' ' 62' ' ' GLN . 39.5 t -86.04 150.87 3.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.523 1.139 . . . . 0.0 109.376 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -68.72 132.63 47.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.329 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.56 17.1 59.57 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.517 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -129.85 -165.64 1.56 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 0.773 . . . . 0.0 109.328 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.56 -155.59 30.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.493 1.121 . . . . 0.0 110.94 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -142.25 145.75 34.39 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.361 0.683 . . . . 0.0 110.371 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.402 ' OD2' ' O ' ' A' ' 95' ' ' LEU . 14.6 t70 -142.24 166.89 23.44 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.52 1.137 . . . . 0.0 109.285 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.545 ' CD2' ' N ' ' A' ' 95' ' ' LEU . 0.1 OUTLIER -101.61 136.75 40.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 109.209 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -133.83 170.41 15.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.615 1.197 . . . . 0.0 110.981 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.438 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 5.9 m-85 -95.57 158.82 33.85 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.918 -179.864 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.463 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.12 -22.43 14.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.508 1.794 . . . . 0.0 110.913 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -99.39 0.93 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.438 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 18.4 mt-10 -88.79 -62.23 1.53 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.308 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.572 ' C ' HD12 ' A' ' 101' ' ' LEU . 2.7 pp -98.25 158.41 15.58 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -112.12 167.57 10.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.23 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.819 HD12 HG12 ' A' ' 44' ' ' VAL . 4.7 tp -77.47 132.13 38.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.556 1.16 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.525 ' HB3' ' O ' ' A' ' 43' ' ' LYS . . . -68.96 154.37 95.08 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.461 1.101 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -56.69 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.459 1.768 . . . . 0.0 110.967 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.562 1.164 . . . . 0.0 110.298 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.6 mtt . . . . . 0 N--CA 1.452 -0.349 0 CA-C-O 120.42 0.152 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 tp -72.31 123.1 26.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.57 1.169 . . . . 0.0 109.304 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -96.04 -49.87 5.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.363 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.89 147.44 33.09 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.354 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 146.88 33.31 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.45 1.763 . . . . 0.0 111.03 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.8 m -82.7 -46.27 13.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.461 1.1 . . . . 0.0 110.062 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.6 mp -82.77 103.72 12.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.148 . . . . 0.0 109.353 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 2.4 pt -128.28 140.48 49.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.4 mp -136.8 125.73 36.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 79' ' ' PRO . 0.8 OUTLIER -111.64 149.87 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.416 1.073 . . . . 0.0 108.373 179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 13.4 m170 -113.5 171.46 7.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.353 1.033 . . . . 0.0 109.591 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -102.05 119.62 39.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.583 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 21.9 t -97.3 147.22 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.65 132.44 52.34 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.091 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.594 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 90.43 89.6 1.32 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.831 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -165.94 159.04 12.87 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.502 0.766 . . . . 0.0 109.339 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -47.28 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.489 1.784 . . . . 0.0 110.985 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.732 HG21 HG21 ' A' ' 66' ' ' VAL . 16.5 m -128.56 177.03 6.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.342 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.44 157.29 18.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.107 . . . . 0.0 110.353 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.2 mm -64.92 130.63 30.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.85 11.03 83.31 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.434 1.084 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.441 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -79.82 138.78 37.32 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.515 0.773 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -94.58 113.92 25.81 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.696 HG12 HD12 ' A' ' 103' ' ' LEU . 17.5 m -112.7 172.12 3.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.551 1.157 . . . . 0.0 109.265 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 9.7 ttpt -122.49 124.91 44.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.563 1.165 . . . . 0.0 109.236 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 75.3 t -66.03 124.22 20.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.563 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.7 p -65.81 115.27 21.17 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.152 . . . . 0.0 109.317 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.04 -17.29 19.58 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.488 1.783 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.77 147.14 27.77 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.568 1.168 . . . . 0.0 109.596 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.0 t -115.84 102.46 9.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.456 1.098 . . . . 0.0 110.001 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -112.99 -36.27 5.16 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.568 1.167 . . . . 0.0 110.334 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.0 t70 -69.89 -54.31 14.04 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.115 . . . . 0.0 109.257 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 156.18 -68.84 0.29 Allowed Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.509 1.131 . . . . 0.0 111.102 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -86.22 132.22 34.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 0.747 . . . . 0.0 110.35 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -145.99 160.89 11.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.435 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 16.5 p -85.59 138.48 32.14 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.175 . . . . 0.0 109.999 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.54 ' HA ' HD12 ' A' ' 60' ' ' LEU . 71.9 tp60 -93.13 -29.87 15.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.398 179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -50.76 12.38 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.532 1.145 . . . . 0.0 110.332 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -81.92 7.37 13.17 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.552 1.158 . . . . 0.0 111.026 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.54 HD12 ' HA ' ' A' ' 57' ' ' GLN . 0.4 OUTLIER -52.39 96.33 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.09 46.61 6.95 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.46 -172.23 2.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.464 0.743 . . . . 0.0 110.299 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.56 128.69 12.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.343 -179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -144.68 -163.24 9.93 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.527 1.142 . . . . 0.0 110.95 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.465 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.1 mt -130.2 150.92 35.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.409 0.711 . . . . 0.0 109.289 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.732 HG21 HG21 ' A' ' 38' ' ' VAL . 21.6 t -81.77 122.66 37.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.407 1.067 . . . . 0.0 109.293 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.6 t -75.62 -51.93 19.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.466 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -114.97 -133.47 5.47 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.549 1.155 . . . . 0.0 110.97 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.831 HD21 ' HB1' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -169.89 177.37 4.41 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.509 0.77 . . . . 0.0 109.32 179.986 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.003 HG12 ' HA ' ' A' ' 83' ' ' LEU . 3.4 m -111.2 103.36 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 109.264 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' CZ ' ' O ' ' A' ' 35' ' ' GLY . 0.9 OUTLIER -137.05 168.29 19.88 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.488 1.118 . . . . 0.0 110.976 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.63 138.61 17.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.359 179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.0 p30 -100.02 111.18 61.61 Favored Pre-proline 0 C--N 1.326 -0.433 0 O-C-N 124.492 1.12 . . . . 0.0 109.223 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -63.28 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.51 -58.24 2.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.153 . . . . 0.0 109.342 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.409 ' O ' ' CB ' ' A' ' 77' ' ' GLN . 1.9 m -133.26 -40.87 0.9 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.509 1.131 . . . . 0.0 110.398 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.41 ' NE2' ' HD3' ' A' ' 82' ' ' PRO . 6.9 pt20 167.17 -179.97 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.392 1.057 . . . . 0.0 110.257 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.595 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -161.94 154.54 16.82 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.376 1.047 . . . . 0.0 110.981 -179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.553 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.86 -54.25 0.15 OUTLIER 'Cis proline' 0 C--N 1.359 1.128 0 C-N-CA 121.067 -2.472 . . . . 0.0 111.039 -0.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -112.55 -27.59 8.17 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.351 1.032 . . . . 0.0 109.313 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.463 ' OD1' ' NE2' ' A' ' 85' ' ' GLN . 3.2 m-20 -122.2 161.55 42.34 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 109.342 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.41 ' HD3' ' NE2' ' A' ' 77' ' ' GLN . 18.4 Cg_endo -74.94 -44.91 0.31 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.562 1.822 . . . . 0.0 111.036 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 1.003 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 pt? -113.16 176.16 5.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 1.103 . . . . 0.0 109.228 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.839 HG23 HG13 ' A' ' 70' ' ' VAL . 1.1 pt -74.15 145.51 11.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 109.381 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.463 ' NE2' ' OD1' ' A' ' 81' ' ' ASP . 27.6 pt20 -131.71 130.97 42.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.53 1.144 . . . . 0.0 110.24 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.477 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.9 t -104.18 134.63 44.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.61 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.1 tt -124.33 122.84 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 56.3 t -90.65 150.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.138 . . . . 0.0 109.373 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.0 mt-10 -71.27 119.88 16.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.476 1.11 . . . . 0.0 110.347 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 85.56 -11.78 60.67 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.547 1.154 . . . . 0.0 110.999 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -103.55 -165.64 1.18 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 0.81 . . . . 0.0 109.312 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -95.4 -155.69 31.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.457 1.098 . . . . 0.0 111.012 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.61 ' HB3' HD12 ' A' ' 87' ' ' LEU . 6.7 pt-20 -142.69 132.72 24.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.296 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -131.35 166.2 21.77 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.539 1.149 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.661 HD13 HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -102.36 126.58 49.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.255 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.477 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 98.7 m-85 -118.05 170.11 9.11 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.026 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 34.5 m-85 -99.34 158.27 32.53 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 111.065 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -15.49 20.69 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.472 1.775 . . . . 0.0 110.989 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -99.04 -7.08 27.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.53 1.144 . . . . 0.0 110.403 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.563 ' O ' HG11 ' A' ' 47' ' ' VAL . 6.0 mt-10 -85.35 -66.42 0.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.555 ' C ' HD12 ' A' ' 101' ' ' LEU . 2.2 pp -97.23 167.63 10.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.451 1.095 . . . . 0.0 109.347 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -127.98 168.2 15.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.429 1.081 . . . . 0.0 110.332 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.696 HD12 HG12 ' A' ' 44' ' ' VAL . 11.3 tp -78.59 131.68 36.83 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.539 1.15 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.42 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . . . -85.07 146.79 46.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.571 1.169 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 104' ' ' ALA . 18.4 Cg_endo -75.02 -53.94 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.425 1.75 . . . . 0.0 110.988 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 110.337 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 8.7 mmt . . . . . 0 N--CA 1.452 -0.332 0 CA-C-O 120.468 0.175 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.684 ' O ' ' C ' ' A' ' 23' ' ' GLN . 7.8 tp -95.96 153.7 3.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.316 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.684 ' C ' ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER -4.28 85.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.525 1.141 . . . . 0.0 110.224 -179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.4 OUTLIER -113.4 155.19 45.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.536 1.148 . . . . 0.0 109.312 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -11.71 21.43 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.462 1.77 . . . . 0.0 110.969 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 27' ' ' LEU . 93.3 p -52.26 -30.48 27.93 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.449 1.093 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER -39.98 106.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 1.1 pt -77.94 133.86 29.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 109.235 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -126.86 137.0 59.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 109.282 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.57 139.0 43.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.419 1.075 . . . . 0.0 108.355 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.72 179.56 3.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 109.555 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.15 137.58 56.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.545 1.153 . . . . 0.0 109.251 -179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.527 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 89.8 t -106.47 141.37 21.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.233 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.41 119.2 9.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.435 1.084 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.43 65.68 0.43 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.524 1.14 . . . . 0.0 110.979 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.547 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -143.7 160.34 50.9 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.454 0.738 . . . . 0.0 109.265 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.459 ' HG3' ' CG2' ' A' ' 70' ' ' VAL . 18.1 Cg_endo -75.04 -56.85 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.544 1.813 . . . . 0.0 111.007 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.548 HG21 HG21 ' A' ' 66' ' ' VAL . 14.7 m -133.8 175.27 11.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -93.69 168.79 10.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.335 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.6 mm -75.17 141.11 16.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.262 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.85 6.89 53.98 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.421 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -75.39 139.87 42.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.465 ' HE2' ' CG2' ' A' ' 63' ' ' THR . 14.8 tttt -93.49 117.0 29.53 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.609 1.193 . . . . 0.0 109.324 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.48 HG12 ' HA ' ' A' ' 103' ' ' LEU . 31.3 m -116.24 171.74 4.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.478 1.111 . . . . 0.0 109.263 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 ttpt -118.11 122.2 42.5 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.488 1.117 . . . . 0.0 109.183 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.48 123.05 18.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.158 . . . . 0.0 109.385 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 7.0 p -59.38 125.51 79.37 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 109.287 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -42.78 0.46 Allowed 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.59 1.837 . . . . 0.0 111.0 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.03 149.15 51.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.61 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 32.6 t -111.15 93.89 4.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.585 1.178 . . . . 0.0 109.979 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.6 mt-10 -102.89 -44.47 5.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.571 1.17 . . . . 0.0 110.328 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.4 t0 -62.06 -65.34 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.14 . . . . 0.0 109.303 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 167.88 -83.35 0.1 OUTLIER Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.463 1.102 . . . . 0.0 111.016 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.8 t -67.85 132.58 47.65 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.527 0.78 . . . . 0.0 110.429 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.417 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -146.18 161.4 10.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.557 1.161 . . . . 0.0 109.337 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.417 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 24.7 t -110.48 119.08 38.02 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.413 1.071 . . . . 0.0 109.986 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -72.66 -10.8 60.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 110.334 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -83.86 -51.93 6.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.261 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.412 ' CE1' HD22 ' A' ' 91' ' ' LEU . 47.6 m-85 -81.7 7.21 13.03 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.93 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.47 108.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.442 1.089 . . . . 0.0 109.329 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 70.19 36.53 71.39 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.556 1.16 . . . . 0.0 110.987 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -112.09 171.45 7.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.449 0.735 . . . . 0.0 110.256 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.465 ' CG2' ' HE2' ' A' ' 43' ' ' LYS . 2.2 m -133.51 131.35 39.71 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.506 1.129 . . . . 0.0 110.38 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -142.2 -172.11 13.45 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.493 1.12 . . . . 0.0 111.052 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.421 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.3 mt -121.62 151.91 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 0.8 . . . . 0.0 109.332 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.6 HG12 ' O ' ' A' ' 68' ' ' GLY . 27.0 t -86.2 118.73 33.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 62.0 t -66.47 -47.89 82.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.6 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -118.77 -138.12 5.77 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.553 1.158 . . . . 0.0 111.046 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.984 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.4 tt -169.96 162.73 9.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 0.748 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.984 ' N ' HD23 ' A' ' 69' ' ' LEU . 3.6 m -93.89 104.46 15.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.358 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.825 ' CE2' HD22 ' A' ' 69' ' ' LEU . 6.9 m-85 -135.04 169.33 17.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 111.027 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -42.6 106.22 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.533 1.146 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -75.0 113.98 30.3 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.434 1.084 . . . . 0.0 109.338 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.475 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.89 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.561 1.821 . . . . 0.0 111.063 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.43 -30.46 57.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.503 ' O ' HG22 ' A' ' 76' ' ' THR . 43.4 m -101.66 12.98 36.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.44 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 76' ' ' THR . 5.6 tp-100 58.91 152.34 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.36 1.037 . . . . 0.0 110.251 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.594 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.1 OUTLIER -164.73 154.14 11.69 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 110.989 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.56 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.94 -60.35 0.08 OUTLIER 'Cis proline' 0 C--N 1.36 1.157 0 C-N-CA 120.934 -2.528 . . . . 0.0 111.009 -0.094 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -119.39 -29.06 5.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.43 1.081 . . . . 0.0 109.389 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -120.01 157.0 53.97 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.289 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -34.01 4.17 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.5 1.79 . . . . 0.0 110.994 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.759 ' HA ' HG12 ' A' ' 70' ' ' VAL . 0.5 OUTLIER -129.47 176.88 7.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.557 1.161 . . . . 0.0 109.393 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.687 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.25 144.16 12.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.483 1.114 . . . . 0.0 109.346 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.413 ' NE2' ' OE2' ' A' ' 93' ' ' GLU . 18.3 pt20 -137.21 129.54 29.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 110.294 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.446 ' HB ' ' CD2' ' A' ' 96' ' ' PHE . 2.3 t -96.84 147.36 6.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.617 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.3 tt -137.9 116.04 11.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.13 . . . . 0.0 109.36 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.417 ' O ' HD23 ' A' ' 87' ' ' LEU . 77.9 t -84.36 151.53 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.599 1.187 . . . . 0.0 109.374 -179.905 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.73 122.5 19.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.344 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.45 -5.69 63.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.436 1.085 . . . . 0.0 111.052 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.412 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -104.6 -164.9 1.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 0.798 . . . . 0.0 109.234 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.08 -158.71 30.23 Favored Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.474 1.109 . . . . 0.0 110.953 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.617 ' HB3' HD12 ' A' ' 87' ' ' LEU . 3.0 pt-20 -135.95 136.57 40.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.75 . . . . 0.0 110.316 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -136.48 165.32 26.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.469 1.106 . . . . 0.0 109.264 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.53 HD13 HD21 ' A' ' 83' ' ' LEU . 0.4 OUTLIER -104.19 126.06 50.99 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.624 1.202 . . . . 0.0 109.342 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.446 ' CD2' ' HB ' ' A' ' 86' ' ' VAL . 97.8 m-85 -120.68 170.39 9.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 111.049 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -95.48 158.32 34.74 Favored Pre-proline 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 110.93 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -16.8 20.18 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.522 1.801 . . . . 0.0 111.092 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -99.26 -9.14 24.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.286 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.76 -65.38 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.253 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.4 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.6 pp -96.95 160.77 14.16 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.492 1.12 . . . . 0.0 109.332 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -123.91 168.4 12.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.543 1.152 . . . . 0.0 110.223 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.48 ' HA ' HG12 ' A' ' 44' ' ' VAL . 6.7 tp -77.28 133.79 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 109.369 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -75.4 148.71 83.59 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.287 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -54.52 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.458 1.767 . . . . 0.0 110.964 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.303 0 CA-C-O 120.559 0.219 . . . . 0.0 111.03 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.7 tp -169.15 141.48 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.36 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -151.35 110.17 3.86 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -122.53 86.47 48.86 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.223 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 156.75 42.82 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.491 1.785 . . . . 0.0 110.963 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.721 ' O ' ' C ' ' A' ' 27' ' ' LEU . 69.1 m -91.55 -55.28 3.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 110.056 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.721 ' C ' ' O ' ' A' ' 26' ' ' SER . 0.0 OUTLIER 1.64 80.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.33 179.876 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' N ' ' O ' ' A' ' 26' ' ' SER . 6.6 pt -77.78 146.49 8.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.599 1.187 . . . . 0.0 109.289 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mt -130.7 150.79 34.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.448 1.093 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 27.5 p -119.05 148.13 43.36 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 108.301 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -94.01 179.7 5.24 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.56 1.162 . . . . 0.0 109.569 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.437 ' OD2' ' CG ' ' A' ' 39' ' ' ARG . 1.5 t0 -63.94 133.21 52.81 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.811 HG13 ' HB2' ' A' ' 36' ' ' ALA . 7.5 p -79.33 138.1 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.272 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -87.76 119.5 28.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.26 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.1 -27.15 6.83 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.478 1.112 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.811 ' HB2' HG13 ' A' ' 33' ' ' VAL . . . -47.69 174.24 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.522 0.778 . . . . 0.0 109.35 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.772 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.5 Cg_endo -74.96 -48.65 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.531 1.806 . . . . 0.0 111.024 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.558 HG22 HG21 ' A' ' 84' ' ' ILE . 34.1 m -127.21 177.46 5.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.432 1.082 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.803 ' HB3' ' HB2' ' A' ' 42' ' ' ALA . 0.0 OUTLIER -112.22 170.33 8.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.302 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.455 HD11 ' HB2' ' A' ' 69' ' ' LEU . 14.4 mm -81.1 126.3 39.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.515 1.134 . . . . 0.0 109.336 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' C ' ' CG2' ' A' ' 65' ' ' ILE . . . 71.75 6.57 63.47 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.803 ' HB2' ' HB3' ' A' ' 39' ' ' ARG . . . -72.25 141.35 48.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 0.766 . . . . 0.0 109.286 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.41 119.19 32.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.27 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.467 HG12 ' HA ' ' A' ' 103' ' ' LEU . 16.1 m -119.3 171.95 6.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.518 1.137 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -120.62 119.88 34.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.406 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.42 ' CG2' HG11 ' A' ' 86' ' ' VAL . 81.5 t -67.02 120.16 13.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.552 HG11 ' O ' ' A' ' 100' ' ' GLU . 2.2 p -60.95 127.61 87.91 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.313 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -36.5 2.5 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.466 1.772 . . . . 0.0 111.012 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -67.71 150.71 48.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.571 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 23.0 t -121.53 100.3 6.95 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.117 . . . . 0.0 110.016 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.28 -43.68 3.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.367 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.89 -64.19 1.02 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.481 1.113 . . . . 0.0 109.249 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 169.92 -83.86 0.09 OUTLIER Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.6 t -70.5 137.04 49.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.435 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -148.31 157.1 8.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.422 1.076 . . . . 0.0 109.34 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.42 ' HG ' ' HD2' ' A' ' 59' ' ' PHE . 8.5 t -102.61 110.7 22.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.992 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.38 -18.69 63.05 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.554 1.159 . . . . 0.0 110.2 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 5.0 ttt180 -76.22 -48.05 21.79 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.596 1.185 . . . . 0.0 110.26 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.42 ' HD2' ' HG ' ' A' ' 56' ' ' SER . 51.9 m-85 -86.67 10.85 14.41 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.556 1.16 . . . . 0.0 111.001 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.0 tp -54.3 100.23 0.03 OUTLIER 'General case' 0 N--CA 1.451 -0.414 0 O-C-N 124.461 1.101 . . . . 0.0 109.41 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 81.12 35.25 24.49 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.534 1.146 . . . . 0.0 111.018 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.593 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -106.71 -178.53 3.68 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 0.774 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.408 ' O ' HG22 ' A' ' 88' ' ' VAL . 0.7 OUTLIER -148.15 123.18 10.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.14 . . . . 0.0 110.439 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -136.58 -161.51 9.1 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.476 1.11 . . . . 0.0 111.045 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.52 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.1 mt -129.9 153.87 39.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.497 0.763 . . . . 0.0 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 68' ' ' GLY . 22.0 t -80.75 126.89 39.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.431 HG23 ' HG3' ' A' ' 85' ' ' GLN . 53.5 t -76.03 -41.93 38.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.427 1.08 . . . . 0.0 109.246 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.65 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -133.87 -138.89 4.06 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.513 1.133 . . . . 0.0 110.927 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.772 HD21 ' HB1' ' A' ' 36' ' ' ALA . 4.3 tt -162.05 152.38 17.06 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.339 0.67 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.909 HG12 ' HA ' ' A' ' 83' ' ' LEU . 6.0 m -80.91 102.74 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.344 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.458 ' HE2' HG21 ' A' ' 33' ' ' VAL . 1.4 t80 -136.33 160.26 39.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.458 1.099 . . . . 0.0 110.961 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -42.77 106.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.146 . . . . 0.0 109.2 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -77.45 114.25 38.93 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 109.352 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.42 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.1 Cg_endo -75.02 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.564 1.823 . . . . 0.0 110.985 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -74.33 -4.45 36.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.593 1.183 . . . . 0.0 109.278 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.9 t -120.64 -6.21 9.7 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.516 1.135 . . . . 0.0 110.387 179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.42 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 3.9 tt0 69.27 146.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.427 1.08 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.581 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -161.58 153.88 16.68 Favored Pre-proline 0 C--N 1.324 -0.535 0 O-C-N 124.578 1.173 . . . . 0.0 110.995 179.93 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.581 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -74.94 -57.9 0.14 OUTLIER 'Cis proline' 0 C--N 1.359 1.123 0 C-N-CA 121.012 -2.495 . . . . 0.0 110.961 -0.063 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -117.1 -28.38 6.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.318 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -132.03 167.48 22.1 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -32.47 5.44 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.483 1.781 . . . . 0.0 111.025 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.909 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.6 pt? -129.89 176.48 8.01 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.861 HG23 HG13 ' A' ' 70' ' ' VAL . 1.3 pt -74.93 145.19 11.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.431 ' HG3' HG23 ' A' ' 67' ' ' VAL . 25.1 pt20 -132.48 132.77 43.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.347 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.42 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.5 t -99.61 136.05 32.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.419 1.075 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.475 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.1 tt -127.44 117.63 22.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.261 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.593 HG21 ' HG2' ' A' ' 62' ' ' GLN . 35.5 t -89.16 151.59 3.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -71.24 125.86 28.07 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.495 1.122 . . . . 0.0 110.242 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 80.36 -5.47 63.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.479 1.112 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.411 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -109.68 -166.27 1.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.562 0.801 . . . . 0.0 109.339 179.929 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.36 -152.48 28.59 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.443 1.089 . . . . 0.0 111.015 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.475 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.1 pt-20 -140.52 144.54 36.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.512 0.772 . . . . 0.0 110.286 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.539 ' OD1' ' CZ ' ' A' ' 96' ' ' PHE . 1.9 t70 -143.58 163.65 32.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.6 1.187 . . . . 0.0 109.255 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.664 HD13 HD21 ' A' ' 83' ' ' LEU . 0.3 OUTLIER -103.33 128.49 50.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.539 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 97.9 m-85 -122.34 165.68 15.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -88.2 158.36 49.56 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.47 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.0 -23.28 13.94 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.488 1.783 . . . . 0.0 110.988 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -98.21 -0.54 43.94 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.549 1.156 . . . . 0.0 110.322 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.552 ' O ' HG11 ' A' ' 47' ' ' VAL . 2.1 mm-40 -85.23 -65.49 1.0 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.528 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.7 pp -97.09 167.79 10.84 Favored 'General case' 0 C--N 1.323 -0.554 0 O-C-N 124.475 1.109 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -125.0 168.38 13.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.306 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.467 ' HA ' HG12 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -77.54 109.45 11.5 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -46.39 145.62 2.71 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -54.25 0.09 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.456 1.766 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.108 . . . . 0.0 110.233 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.314 0 CA-C-O 120.492 0.187 . . . . 0.0 110.938 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 8.1 tp -147.3 147.21 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 109.293 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.4 tp60 -132.23 115.92 16.29 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.302 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -121.51 82.26 39.97 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.091 . . . . 0.0 109.277 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 148.04 34.83 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.483 1.781 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.4 t -111.24 -51.57 2.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.02 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.5 mt -100.39 114.41 27.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.254 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 tp -80.64 148.88 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.221 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -140.6 159.54 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.239 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 26.3 p -135.25 172.97 12.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 3.9 m170 -144.1 175.78 9.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.545 1.153 . . . . 0.0 109.589 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.6 137.68 34.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.303 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.576 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 58.3 t -107.17 134.81 47.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.564 1.165 . . . . 0.0 109.378 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -66.12 130.12 42.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 109.232 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.13 -33.08 3.43 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.633 1.208 . . . . 0.0 110.95 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.67 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -48.42 162.04 0.36 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.478 0.752 . . . . 0.0 109.208 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.434 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 18.4 Cg_endo -75.13 -51.16 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.525 1.802 . . . . 0.0 110.992 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 66' ' ' VAL . 10.5 m -132.41 177.55 6.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.449 1.093 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.42 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 4.5 ttt-85 -102.75 158.8 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CD1' ' HB2' ' A' ' 69' ' ' LEU . 38.2 mm -64.25 139.63 21.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.363 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 69.89 11.36 66.27 Favored Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.496 1.122 . . . . 0.0 111.01 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.42 ' CB ' ' O ' ' A' ' 39' ' ' ARG . . . -77.14 134.22 38.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.404 0.708 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' CG ' HG12 ' A' ' 65' ' ' ILE . 1.1 ttmt -93.41 107.26 19.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.117 . . . . 0.0 109.338 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.796 HG12 HD12 ' A' ' 103' ' ' LEU . 30.5 m -106.48 171.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 0.0 109.39 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' HG3' ' HG1' ' A' ' 63' ' ' THR . 9.7 ttpt -119.35 119.81 35.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.306 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.415 ' CG2' HG11 ' A' ' 86' ' ' VAL . 77.3 t -65.88 122.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.454 1.096 . . . . 0.0 109.381 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.511 ' O ' HD11 ' A' ' 55' ' ' ILE . 4.3 p -60.91 128.52 89.16 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 -23.43 13.71 Favored 'Trans proline' 0 C--N 1.361 1.218 0 O-C-N 124.488 1.783 . . . . 0.0 110.976 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.87 -177.23 3.82 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.472 1.107 . . . . 0.0 109.645 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 21.9 t -115.71 112.1 21.56 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.077 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -101.14 -43.92 5.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.294 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -93.42 -65.29 1.0 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.592 1.183 . . . . 0.0 109.344 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 179.38 -62.8 0.08 OUTLIER Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.442 1.089 . . . . 0.0 111.094 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.8 t -59.19 149.82 27.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 0.766 . . . . 0.0 110.388 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.511 HD11 ' O ' ' A' ' 47' ' ' VAL . 5.5 tp -166.07 164.36 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.529 1.143 . . . . 0.0 109.263 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 53.2 m -143.91 112.15 6.34 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.965 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -60.42 -31.81 70.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.5 ttt85 -60.41 -42.19 95.47 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 -95.04 20.05 9.56 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 60' ' ' LEU . 10.1 tt -62.5 112.54 2.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.374 1.046 . . . . 0.0 109.276 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 66.05 36.47 92.01 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.492 1.12 . . . . 0.0 111.03 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.677 ' HG2' HG21 ' A' ' 88' ' ' VAL . 0.5 OUTLIER -98.29 -173.37 2.55 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.46 0.741 . . . . 0.0 110.294 179.96 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.455 ' HG1' ' HG3' ' A' ' 45' ' ' LYS . 13.6 m -157.13 119.43 3.88 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.453 1.096 . . . . 0.0 110.401 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.32 -173.22 12.87 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.455 1.097 . . . . 0.0 110.968 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.462 HG12 ' CG ' ' A' ' 43' ' ' LYS . 1.6 mt -117.2 158.76 17.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.537 0.786 . . . . 0.0 109.263 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.746 HG21 HG21 ' A' ' 38' ' ' VAL . 39.6 t -89.07 110.63 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.246 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.5 t -58.39 -49.95 80.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.402 1.064 . . . . 0.0 109.295 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.613 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -118.6 -132.85 4.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.566 1.166 . . . . 0.0 110.924 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.949 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.2 tt -174.21 165.69 4.09 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 0.759 . . . . 0.0 109.343 -179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.949 ' N ' HD23 ' A' ' 69' ' ' LEU . 2.5 m -97.92 104.2 15.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.34 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.843 ' CE2' HD22 ' A' ' 69' ' ' LEU . 6.3 m-85 -135.42 168.73 18.66 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.355 1.035 . . . . 0.0 111.046 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.64 106.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.601 1.188 . . . . 0.0 109.245 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -75.88 113.96 32.38 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 109.332 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.437 ' CD ' ' HB3' ' A' ' 78' ' ' TYR . 18.5 Cg_endo -74.86 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.791 . . . . 0.0 111.097 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -79.27 -2.98 43.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.449 1.093 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.81 11.58 6.67 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 110.381 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 60.14 149.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 110.318 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.589 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -164.07 154.51 13.14 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.44 1.088 . . . . 0.0 111.005 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.589 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.1 Cg_endo -75.05 -59.12 0.13 OUTLIER 'Cis proline' 0 C--N 1.36 1.181 0 C-N-CA 120.978 -2.509 . . . . 0.0 111.012 -0.038 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -118.83 -28.71 5.52 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.491 1.119 . . . . 0.0 109.266 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.14 155.69 55.49 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.112 . . . . 0.0 109.344 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -38.2 1.67 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.55 1.816 . . . . 0.0 110.927 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.736 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.4 tp -126.89 175.84 7.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.677 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.2 pt -74.94 144.35 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.273 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 85' ' ' GLN . 0.5 OUTLIER -137.84 136.3 37.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.266 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.415 HG11 ' CG2' ' A' ' 46' ' ' VAL . 2.4 t -107.79 134.73 48.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.547 1.154 . . . . 0.0 109.207 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.65 HD12 ' HB3' ' A' ' 93' ' ' GLU . 7.0 tt -122.27 125.11 45.32 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.677 HG21 ' HG2' ' A' ' 62' ' ' GLN . 25.7 t -95.03 152.01 3.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.336 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -69.18 126.86 31.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.579 1.174 . . . . 0.0 110.324 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 72.45 15.62 77.33 Favored Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.589 1.18 . . . . 0.0 111.041 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -129.51 -166.07 1.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 0.762 . . . . 0.0 109.318 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.99 -165.17 28.98 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.482 1.114 . . . . 0.0 110.947 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.65 ' HB3' HD12 ' A' ' 87' ' ' LEU . 5.1 pt-20 -130.94 134.4 46.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 0.758 . . . . 0.0 110.279 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.439 ' CG ' ' N ' ' A' ' 95' ' ' LEU . 1.7 t70 -133.21 165.97 23.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.143 . . . . 0.0 109.397 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.465 ' N ' HD12 ' A' ' 95' ' ' LEU . 6.6 mp -101.7 135.85 42.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . . . . . . . . . 90.4 m-85 -129.62 168.79 15.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 111.066 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.483 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 27.8 m-85 -90.63 159.55 40.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.115 . . . . 0.0 110.979 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -23.08 14.06 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.514 1.797 . . . . 0.0 110.94 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -96.39 -10.01 28.6 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 110.289 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.483 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 2.3 mm-40 -74.15 -64.88 0.92 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.302 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.544 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.3 pp -98.71 168.11 10.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.283 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -129.51 168.27 16.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.796 HD12 HG12 ' A' ' 44' ' ' VAL . 2.9 tp -77.58 120.33 22.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.568 1.167 . . . . 0.0 109.305 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -54.63 153.89 9.96 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -54.78 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.545 1.813 . . . . 0.0 110.949 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 110.341 -179.98 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.709 ' O ' ' C ' ' A' ' 22' ' ' ILE . 2.0 mmt . . . . . 0 N--CA 1.453 -0.297 0 CA-C-O 120.484 0.183 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.78 HG23 ' H ' ' A' ' 23' ' ' GLN . 0.8 OUTLIER -3.91 -96.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 0.0 109.347 -179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.78 ' H ' HG23 ' A' ' 22' ' ' ILE . 1.9 mt-30 -91.81 160.07 15.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.558 1.161 . . . . 0.0 110.387 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -80.12 145.49 60.85 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.261 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.12 100.39 1.36 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.588 1.836 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 78.9 p -74.75 -44.07 51.66 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.419 1.074 . . . . 0.0 110.019 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.3 tt -69.24 120.53 15.22 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 13.6 pt -96.08 154.54 3.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.083 . . . . 0.0 109.259 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 48.0 mt -133.54 122.62 44.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.151 . . . . 0.0 109.349 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.5 p -118.36 150.53 39.36 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.538 1.149 . . . . 0.0 108.297 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -156.37 -179.72 8.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.591 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . 0.432 ' OD2' ' CZ ' ' A' ' 39' ' ' ARG . 1.9 t0 -99.77 124.91 45.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.342 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.535 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 91.2 t -104.51 145.87 12.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.06 133.79 44.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.389 1.056 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 103.39 49.23 1.14 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.521 1.138 . . . . 0.0 111.064 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.624 ' HB2' ' CE1' ' A' ' 71' ' ' PHE . . . -129.37 163.01 49.22 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.541 0.789 . . . . 0.0 109.309 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.465 ' HD2' ' HB1' ' A' ' 36' ' ' ALA . 17.9 Cg_endo -75.12 -56.2 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.541 1.811 . . . . 0.0 110.922 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.892 HG21 HG21 ' A' ' 66' ' ' VAL . 15.4 m -126.03 177.37 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.393 1.058 . . . . 0.0 109.392 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . 0.433 ' O ' ' CB ' ' A' ' 42' ' ' ALA . 0.1 OUTLIER -108.58 154.19 22.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 110.221 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.511 HD11 ' HB2' ' A' ' 69' ' ' LEU . 34.4 mm -61.5 135.26 26.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.36 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.64 12.49 83.75 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.443 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -81.9 137.04 35.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.417 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.463 ' HG3' ' CD1' ' A' ' 65' ' ' ILE . 0.4 OUTLIER -93.4 119.68 32.79 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.606 1.191 . . . . 0.0 109.255 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.888 HG12 HD12 ' A' ' 103' ' ' LEU . 29.0 m -120.59 171.83 8.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.449 1.093 . . . . 0.0 109.259 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 14.9 ttpt -123.54 116.14 22.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.556 1.16 . . . . 0.0 109.338 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 80.1 t -67.61 113.78 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 O-C-N 124.479 1.112 . . . . 0.0 109.225 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.7 m -55.28 161.18 2.88 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.329 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -55.87 0.07 OUTLIER 'Trans proline' 0 C--N 1.358 1.078 0 O-C-N 124.535 1.808 . . . . 0.0 110.931 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 17.0 m-70 -118.96 158.58 25.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.464 1.103 . . . . 0.0 109.636 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.424 ' CB ' HG12 ' A' ' 55' ' ' ILE . 33.8 t -115.82 169.04 9.52 Favored 'General case' 0 C--N 1.323 -0.559 0 O-C-N 124.604 1.19 . . . . 0.0 110.015 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -91.57 -26.41 18.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 0.0 110.339 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -75.92 -84.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.324 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -172.67 -53.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.59 1.181 . . . . 0.0 111.007 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 7.4 t -59.23 134.39 56.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 110.431 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.441 HG23 ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -156.91 163.46 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.301 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.441 ' N ' HG23 ' A' ' 55' ' ' ILE . 92.7 p -116.96 122.48 44.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.544 1.152 . . . . 0.0 110.024 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -87.78 -19.72 27.12 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 110.262 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -74.96 -28.6 60.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.406 ' CE1' HD22 ' A' ' 91' ' ' LEU . 56.5 m-85 -110.51 22.01 15.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.575 1.172 . . . . 0.0 111.057 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.5 tp -60.24 97.06 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 84.72 27.08 36.11 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.593 1.183 . . . . 0.0 111.04 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.4 ' N ' HE21 ' A' ' 62' ' ' GLN . 0.0 OUTLIER -95.1 177.44 5.87 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.525 0.779 . . . . 0.0 110.31 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.2 m -145.97 123.68 11.87 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.459 1.1 . . . . 0.0 110.357 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -140.67 -172.57 13.02 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.499 1.125 . . . . 0.0 110.98 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.463 ' CD1' ' HG3' ' A' ' 43' ' ' LYS . 1.4 mt -117.71 155.52 19.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 0.767 . . . . 0.0 109.39 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.892 HG21 HG21 ' A' ' 38' ' ' VAL . 13.6 t -85.65 112.39 22.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 17.0 t -77.29 -31.28 18.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.554 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -135.26 144.26 16.13 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 1.032 HD23 ' N ' ' A' ' 70' ' ' VAL . 8.0 tt -106.02 158.36 16.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 0.738 . . . . 0.0 109.337 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.066 HG13 HG23 ' A' ' 84' ' ' ILE . 10.7 m -89.56 104.74 15.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.45 1.094 . . . . 0.0 109.388 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.731 ' CD2' HD22 ' A' ' 69' ' ' LEU . 3.5 m-85 -134.72 169.27 17.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 -179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.43 106.61 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.214 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.54 117.86 69.56 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 0.0 109.322 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -162.36 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.5 1.789 . . . . 0.0 110.972 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -75.53 -2.72 30.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.118 . . . . 0.0 109.292 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -126.08 7.0 7.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 110.415 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 26.0 mt-30 58.92 154.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.28 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.596 ' CD2' ' HA ' ' A' ' 79' ' ' PRO . 0.0 OUTLIER -164.6 155.88 13.39 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.973 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.596 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.3 Cg_endo -74.99 -57.67 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.172 0 C-N-CA 120.986 -2.506 . . . . 0.0 110.968 -0.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 11.2 t0 -114.87 -27.64 7.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 0.0 109.231 -179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.43 ' OD2' HD21 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -130.98 160.36 67.19 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.991 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -49.31 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.56 1.821 . . . . 0.0 111.014 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.851 ' HA ' HG12 ' A' ' 70' ' ' VAL . 1.0 OUTLIER -106.11 175.85 5.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.471 1.107 . . . . 0.0 109.266 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.066 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.4 145.03 11.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.337 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.451 ' HB3' HD23 ' A' ' 95' ' ' LEU . 20.0 pt20 -134.02 131.94 39.5 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.7 t -102.84 147.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.554 HD12 ' HB3' ' A' ' 93' ' ' GLU . 8.0 tt -134.39 131.96 38.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.393 1.058 . . . . 0.0 109.365 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 54.9 t -102.76 152.48 5.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.559 1.162 . . . . 0.0 109.299 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.83 126.33 29.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.325 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 76.16 5.47 81.05 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.406 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -121.17 -166.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 109.412 179.91 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -98.31 -157.47 29.84 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.487 1.117 . . . . 0.0 111.033 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.554 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.3 pt-20 -142.04 135.78 29.56 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 0.75 . . . . 0.0 110.321 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -132.45 166.68 21.47 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.475 ' CB ' HD11 ' A' ' 83' ' ' LEU . 0.2 OUTLIER -101.56 132.67 47.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.621 1.201 . . . . 0.0 109.335 179.92 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.423 ' O ' HD12 ' A' ' 83' ' ' LEU . 99.0 m-85 -126.88 170.56 12.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.525 1.141 . . . . 0.0 111.03 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.485 ' HB2' ' CG ' ' A' ' 100' ' ' GLU . 1.0 OUTLIER -92.19 160.02 36.21 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.941 -179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.449 ' HB3' ' CB ' ' A' ' 37' ' ' PRO . 18.3 Cg_endo -75.09 -26.72 10.51 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.527 1.804 . . . . 0.0 111.035 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.414 ' HA ' ' OE1' ' A' ' 99' ' ' GLU . 3.0 tp10 -96.53 -10.97 26.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.303 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . 0.485 ' CG ' ' HB2' ' A' ' 97' ' ' PHE . 6.4 mt-10 -70.13 -66.36 0.61 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.56 1.163 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.486 ' C ' HD12 ' A' ' 101' ' ' LEU . 4.2 pp -97.37 156.99 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -108.49 168.46 9.31 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.458 1.099 . . . . 0.0 110.258 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.888 HD12 HG12 ' A' ' 44' ' ' VAL . 8.9 tp -78.15 130.33 36.23 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -57.56 154.67 23.63 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 -54.57 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.573 1.828 . . . . 0.0 111.052 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 110.331 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.7 mtt . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 120.496 0.189 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.693 HD13 ' N ' ' A' ' 23' ' ' GLN . 0.2 OUTLIER -98.34 127.12 51.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 109.328 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.693 ' N ' HD13 ' A' ' 22' ' ' ILE . 4.4 mm-40 -54.05 124.98 17.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.253 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -50.96 145.88 11.31 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 109.361 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 94.5 0.96 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.524 1.802 . . . . 0.0 110.904 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.699 ' O ' ' C ' ' A' ' 27' ' ' LEU . 68.7 m -74.27 -52.03 13.52 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.06 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.699 ' C ' ' O ' ' A' ' 26' ' ' SER . 13.6 tp -0.15 88.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 10.4 tt -134.14 154.22 37.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.1 tp -73.91 125.62 33.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.574 1.171 . . . . 0.0 109.211 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.18 158.96 32.67 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 108.336 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -79.23 179.77 7.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.551 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.41 132.94 51.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.548 1.155 . . . . 0.0 109.276 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.594 ' HB ' ' CZ ' ' A' ' 71' ' ' PHE . 42.1 t -96.35 149.96 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 59.1 m-20 -66.01 144.08 56.96 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.523 ' O ' ' CZ ' ' A' ' 71' ' ' PHE . . . 79.65 91.94 0.4 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.39 1.056 . . . . 0.0 111.019 -179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.783 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -166.26 160.5 12.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.292 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . 0.403 ' CG ' ' HB3' ' A' ' 98' ' ' PRO . 18.3 Cg_endo -74.95 -48.55 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.509 1.794 . . . . 0.0 111.003 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.909 HG12 ' CD1' ' A' ' 103' ' ' LEU . 19.5 m -122.59 177.65 3.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.517 1.136 . . . . 0.0 109.3 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 8.7 ttt180 -112.96 160.57 17.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.261 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 26.3 mm -70.42 132.7 32.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 73.95 13.83 80.6 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.52 1.137 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.415 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -81.12 137.28 35.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.304 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.45 ' HG3' HD11 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -93.36 107.43 19.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.397 179.871 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.468 ' HB ' HD13 ' A' ' 101' ' ' LEU . 33.8 m -106.95 170.02 2.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 O-C-N 124.517 1.135 . . . . 0.0 109.324 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.02 119.29 32.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.251 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 54.4 t -66.92 122.06 17.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.432 1.083 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.615 HG22 ' H ' ' A' ' 49' ' ' HIS . 7.9 p -60.01 123.2 71.17 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -8.32 19.94 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.477 1.777 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . 0.615 ' H ' HG22 ' A' ' 47' ' ' VAL . 30.4 m170 -104.09 162.89 12.78 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.435 1.084 . . . . 0.0 109.583 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 43.8 t -103.27 117.58 34.83 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.479 1.112 . . . . 0.0 110.027 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -108.14 -42.41 4.65 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.442 1.089 . . . . 0.0 110.233 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -87.33 -61.22 1.77 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 170.78 -72.78 0.11 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.452 1.095 . . . . 0.0 111.068 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.7 t -73.74 132.36 42.56 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.623 0.837 . . . . 0.0 110.458 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.5 OUTLIER -144.69 159.57 14.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.348 -179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.41 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 7.9 t -95.02 118.54 32.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.923 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -73.57 -19.37 60.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.558 1.161 . . . . 0.0 110.336 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.414 ' O ' ' NE2' ' A' ' 62' ' ' GLN . 13.3 ttt180 -77.37 -41.38 40.48 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.515 1.134 . . . . 0.0 110.362 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . 0.458 ' CE1' HD22 ' A' ' 91' ' ' LEU . 46.0 m-85 -93.98 17.02 13.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 110.977 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.4 tt -57.9 87.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 59' ' ' PHE . . . 90.85 44.33 4.53 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.39 1.056 . . . . 0.0 110.931 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.414 ' NE2' ' O ' ' A' ' 58' ' ' ARG . 0.0 OUTLIER -116.88 174.22 6.21 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.502 0.766 . . . . 0.0 110.363 179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 3.6 m -135.8 124.84 24.31 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.548 1.155 . . . . 0.0 110.482 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -137.67 -177.61 15.3 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.54 1.15 . . . . 0.0 111.059 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.45 HD11 ' HG3' ' A' ' 43' ' ' LYS . 1.5 mt -115.47 155.88 16.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.522 0.778 . . . . 0.0 109.317 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.695 HG21 HG21 ' A' ' 38' ' ' VAL . 48.1 t -84.9 130.41 36.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 O-C-N 124.512 1.133 . . . . 0.0 109.249 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 56.3 t -80.75 -44.96 21.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.23 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.513 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -123.81 -132.71 3.97 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.531 1.144 . . . . 0.0 111.018 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.878 HD22 ' CD2' ' A' ' 71' ' ' PHE . 5.0 tt -170.54 172.4 5.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.829 HG12 ' HA ' ' A' ' 83' ' ' LEU . 2.2 m -105.59 102.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.483 1.115 . . . . 0.0 109.269 -179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.878 ' CD2' HD22 ' A' ' 69' ' ' LEU . 1.0 OUTLIER -137.91 169.42 17.81 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.107 . . . . 0.0 110.966 -179.912 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -42.1 106.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 109.292 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -75.83 116.4 55.09 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 109.257 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.03 -164.64 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -77.18 -1.82 31.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.395 1.059 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 13.4 t -127.77 7.89 6.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.604 1.19 . . . . 0.0 110.411 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.3 154.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 110.317 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.587 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.2 OUTLIER -164.62 153.07 10.93 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 110.965 -179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.573 ' HA ' ' CG ' ' A' ' 78' ' ' TYR . 18.4 Cg_endo -75.12 -56.86 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.169 0 C-N-CA 121.004 -2.498 . . . . 0.0 110.987 0.047 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -115.62 -28.23 6.85 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -127.8 165.84 27.48 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.565 1.165 . . . . 0.0 109.36 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -30.87 6.62 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.462 1.769 . . . . 0.0 110.956 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.991 HD21 HD23 ' A' ' 95' ' ' LEU . 0.6 OUTLIER -127.38 176.25 7.59 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 0.0 109.249 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.728 HG22 ' HA ' ' A' ' 69' ' ' LEU . 1.1 pt -74.05 145.79 10.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.43 ' O ' ' HG2' ' A' ' 85' ' ' GLN . 0.0 OUTLIER -132.85 140.71 48.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.335 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.27 146.05 16.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.452 HD12 ' HB3' ' A' ' 93' ' ' GLU . 6.8 tt -136.45 116.23 13.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.567 1.167 . . . . 0.0 109.342 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . . . . . . . . . 48.2 t -86.39 153.56 3.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.36 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.48 133.91 49.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 63.6 11.05 40.21 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.092 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.458 HD22 ' CE1' ' A' ' 59' ' ' PHE . 0.0 OUTLIER -123.38 -165.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 0.786 . . . . 0.0 109.298 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -99.39 -161.07 29.17 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.507 1.13 . . . . 0.0 111.012 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.452 ' HB3' HD12 ' A' ' 87' ' ' LEU . 7.6 pt-20 -136.75 136.55 39.04 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 0.768 . . . . 0.0 110.281 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.545 ' C ' HD12 ' A' ' 95' ' ' LEU . 5.0 t70 -128.74 166.12 19.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.991 HD23 HD21 ' A' ' 83' ' ' LEU . 1.4 mp -101.53 130.2 47.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.452 1.095 . . . . 0.0 109.224 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.536 ' CZ ' ' OD1' ' A' ' 94' ' ' ASP . 84.1 m-85 -129.97 170.63 13.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -99.55 159.29 30.41 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.991 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . 0.403 ' HB3' ' CG ' ' A' ' 37' ' ' PRO . 18.1 Cg_endo -75.02 -19.19 18.04 Favored 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.593 1.838 . . . . 0.0 110.982 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.46 -0.88 39.87 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 110.336 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -88.68 -64.56 1.13 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.51 1.131 . . . . 0.0 110.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.468 HD13 ' HB ' ' A' ' 44' ' ' VAL . 4.6 pp -97.15 165.71 11.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.336 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -124.72 168.58 12.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.355 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.909 ' CD1' HG12 ' A' ' 38' ' ' VAL . 2.1 mp -77.33 121.58 23.94 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.404 ' HA ' ' HD3' ' A' ' 105' ' ' PRO . . . -54.75 145.75 39.56 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.685 ' O ' ' C ' ' A' ' 106' ' ' GLU . 18.0 Cg_endo -75.05 -54.03 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.778 . . . . 0.0 110.958 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.685 ' C ' ' O ' ' A' ' 105' ' ' PRO . 22.2 tt0 . . . . . 0 C--N 1.326 -0.43 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.717 ' O ' ' C ' ' A' ' 22' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.529 0.204 . . . . 0.0 110.935 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.762 HG23 ' O ' ' A' ' 22' ' ' ILE . 0.1 OUTLIER 0.04 83.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 21' ' ' MET . 2.0 mt-30 -99.58 -177.44 3.58 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 110.243 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.12 132.81 23.42 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 176.47 9.88 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.581 1.832 . . . . 0.0 110.962 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.704 ' O ' ' C ' ' A' ' 27' ' ' LEU . 2.9 p -54.7 -32.0 58.83 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.042 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.704 ' C ' ' O ' ' A' ' 26' ' ' SER . 30.5 tp 3.63 -110.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 109.3 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.493 ' CG1' ' HG ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER -135.9 116.38 18.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 7.9 tt -126.47 135.61 63.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 9.7 m -147.3 125.05 11.85 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.425 1.078 . . . . 0.0 108.301 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -101.02 175.27 5.65 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.514 1.133 . . . . 0.0 109.672 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -66.29 119.27 11.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.566 ' HB ' ' CE1' ' A' ' 71' ' ' PHE . 13.4 t -95.95 137.97 22.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.43 1.081 . . . . 0.0 109.295 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -53.02 139.44 28.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.559 1.162 . . . . 0.0 109.311 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.32 72.22 1.3 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.405 1.065 . . . . 0.0 111.027 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.567 ' HB1' HD21 ' A' ' 69' ' ' LEU . . . -153.24 155.18 31.63 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -52.0 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.535 1.808 . . . . 0.0 111.047 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.685 ' O ' HD11 ' A' ' 69' ' ' LEU . 3.6 m -136.96 177.38 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.389 1.055 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -94.9 175.44 6.64 Favored 'General case' 0 C--N 1.327 -0.405 0 O-C-N 124.434 1.084 . . . . 0.0 110.266 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.456 HD11 ' HB2' ' A' ' 69' ' ' LEU . 43.2 mm -79.53 146.27 8.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.591 1.182 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 71.46 4.77 58.15 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.546 1.154 . . . . 0.0 110.95 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 65' ' ' ILE . . . -67.81 133.07 48.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 0.82 . . . . 0.0 109.307 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.415 ' HD2' HD11 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -94.28 112.71 24.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.426 ' HB ' HD13 ' A' ' 101' ' ' LEU . 35.4 m -107.19 171.91 2.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.553 1.158 . . . . 0.0 109.311 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HB2' ' HB2' ' A' ' 104' ' ' ALA . 4.4 ttpt -130.79 120.48 23.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.431 1.082 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 91.9 t -73.1 102.5 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.211 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.443 ' H ' HG22 ' A' ' 47' ' ' VAL . 2.6 m -70.85 160.83 80.87 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.465 1.103 . . . . 0.0 109.236 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -21.43 15.84 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.429 1.752 . . . . 0.0 110.936 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -56.78 117.12 3.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 27.5 t -104.98 101.64 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.996 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.05 -44.94 5.83 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.437 1.086 . . . . 0.0 110.304 179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -63.92 167.37 6.27 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.431 1.082 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -61.28 -54.69 34.28 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.586 1.179 . . . . 0.0 110.922 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 13.7 t -114.38 135.3 54.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 0.759 . . . . 0.0 110.425 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.428 ' CG2' ' N ' ' A' ' 56' ' ' SER . 0.6 OUTLIER -131.45 161.93 40.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.428 ' N ' ' CG2' ' A' ' 55' ' ' ILE . 57.4 m -90.42 120.89 31.91 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.45 1.094 . . . . 0.0 110.047 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -75.97 -29.92 58.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 110.313 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -69.16 -57.74 4.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.196 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PHE . . . . . . . . . . . . . 28.0 m-85 -67.29 -8.38 31.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.472 1.107 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 tt -58.58 94.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.534 1.146 . . . . 0.0 109.296 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 99.81 27.11 8.09 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.461 1.101 . . . . 0.0 110.986 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.84 176.35 5.23 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.547 0.792 . . . . 0.0 110.344 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.4 m -132.3 132.87 43.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.127 . . . . 0.0 110.393 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.462 ' HA3' HG13 ' A' ' 86' ' ' VAL . . . -142.52 -170.83 12.92 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.484 HG23 ' O ' ' A' ' 42' ' ' ALA . 1.2 mt -129.09 154.5 40.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 0.786 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.576 HG12 ' O ' ' A' ' 68' ' ' GLY . 20.9 t -81.23 111.11 17.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.45 -45.21 93.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.117 . . . . 0.0 109.291 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.576 ' O ' HG12 ' A' ' 66' ' ' VAL . . . -126.81 -129.82 3.31 Favored Glycine 0 CA--C 1.528 0.903 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.948 HD23 ' N ' ' A' ' 70' ' ' VAL . 7.3 tt -173.3 162.82 4.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.457 0.74 . . . . 0.0 109.355 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 1.027 HG13 HG23 ' A' ' 84' ' ' ILE . 10.3 m -93.46 104.38 15.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.438 1.086 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.791 ' CE2' HD22 ' A' ' 69' ' ' LEU . 8.1 m-85 -135.37 169.12 17.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.532 1.145 . . . . 0.0 110.969 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -42.42 106.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 109.262 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.01 120.28 79.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.402 ' HD2' ' CA ' ' A' ' 77' ' ' GLN . 18.5 Cg_endo -75.03 -162.29 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.529 1.805 . . . . 0.0 110.962 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -76.32 -3.05 34.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.451 1.094 . . . . 0.0 109.321 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 t -126.91 8.09 6.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLN . . . . . 0.402 ' CA ' ' HD2' ' A' ' 74' ' ' PRO . 1.8 mt-30 58.88 154.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.526 1.141 . . . . 0.0 110.264 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.606 ' C ' ' CD1' ' A' ' 78' ' ' TYR . 0.0 OUTLIER -164.49 155.83 13.56 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.48 1.113 . . . . 0.0 110.988 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.594 ' HA ' ' CD2' ' A' ' 78' ' ' TYR . 18.6 Cg_endo -74.94 -57.71 0.14 OUTLIER 'Cis proline' 0 C--N 1.36 1.16 0 C-N-CA 120.997 -2.501 . . . . 0.0 110.986 -0.071 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.403 ' OD2' ' OE1' ' A' ' 85' ' ' GLN . 21.5 p-10 -114.58 -27.69 7.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.61 1.194 . . . . 0.0 109.367 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -131.35 158.94 73.84 Favored Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.507 1.13 . . . . 0.0 109.248 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 -21.19 16.23 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.559 1.821 . . . . 0.0 111.02 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.861 HD21 HD13 ' A' ' 95' ' ' LEU . 1.3 pt? -129.76 175.92 8.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 1.027 HG23 HG13 ' A' ' 70' ' ' VAL . 1.2 pt -75.28 145.01 11.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.369 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . 0.564 ' CB ' HD23 ' A' ' 95' ' ' LEU . 8.4 pt20 -130.67 133.1 45.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 110.366 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.462 HG13 ' HA3' ' A' ' 64' ' ' GLY . 2.5 t -100.74 136.89 30.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.542 1.151 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.418 HD23 ' O ' ' A' ' 88' ' ' VAL . 7.1 tt -126.76 116.04 20.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 109.232 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.454 HG11 HD13 ' A' ' 91' ' ' LEU . 53.2 t -85.91 152.64 3.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.415 1.072 . . . . 0.0 109.323 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -69.67 132.06 45.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.581 1.176 . . . . 0.0 110.304 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 65.31 9.79 44.59 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.043 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.454 HD13 HG11 ' A' ' 88' ' ' VAL . 0.0 OUTLIER -120.01 -165.83 1.22 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.553 0.796 . . . . 0.0 109.299 179.925 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -96.2 -150.49 27.0 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.437 1.085 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -144.95 144.65 31.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 0.766 . . . . 0.0 110.271 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . 0.595 ' OD1' ' CE1' ' A' ' 96' ' ' PHE . 0.3 OUTLIER -144.24 165.53 27.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.572 1.17 . . . . 0.0 109.284 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.861 HD13 HD21 ' A' ' 83' ' ' LEU . 0.6 OUTLIER -104.0 135.44 45.5 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.285 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PHE . . . . . 0.595 ' CE1' ' OD1' ' A' ' 94' ' ' ASP . 92.8 m-85 -131.11 170.25 14.79 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.41 1.069 . . . . 0.0 110.959 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -94.0 159.13 35.02 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -23.92 13.43 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.518 1.799 . . . . 0.0 111.015 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -99.46 1.85 44.46 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.479 1.112 . . . . 0.0 110.32 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -89.16 -63.91 1.22 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 110.295 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.551 ' C ' HD12 ' A' ' 101' ' ' LEU . 3.3 pp -96.82 160.12 14.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.407 1.067 . . . . 0.0 109.321 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -120.25 168.58 11.1 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.52 1.138 . . . . 0.0 110.254 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.488 HD11 ' CG1' ' A' ' 38' ' ' VAL . 1.4 mp -77.31 136.43 38.48 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.41 ' HB2' ' HB2' ' A' ' 45' ' ' LYS . . . -75.73 150.9 84.44 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -54.5 0.08 OUTLIER 'Trans proline' 0 C--N 1.358 1.063 0 O-C-N 124.53 1.805 . . . . 0.0 110.956 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 . . . . . 0 C--N 1.324 -0.524 0 O-C-N 124.469 1.105 . . . . 0.0 110.299 -179.995 . . . . . . . . 0 0 . 1 stop_ save_